(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

C48H100N12O8 — CID 159105749

IUPAC(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/4C12H25N3O2/c4*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h4*10-11H,3-9,13H2,1-2H3,(H,14,16)/t2*10-,11+;2*10-,11-/m1010/s1
InChIKeyKDVZXYGMIBUVHO-IOLMCIFPSA-N
MW973.40 g/mol
LogP-0.77
Rot. Bonds24

About (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 159105749) has the molecular formula C48H100N12O8 and a molecular weight of 973.40 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID159105749
Molecular FormulaC48H100N12O8
Molecular Weight973.40 g/mol
Exact Mass972.78
IUPAC Name(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/4C12H25N3O2/c4*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h4*10-11H,3-9,13H2,1-2H3,(H,14,16)/t2*10-,11+;2*10-,11-/m1010/s1
InChIKeyKDVZXYGMIBUVHO-IOLMCIFPSA-N
XLogP-0.77
TPSA270.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.40
LogP ≤ 5-0.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide with MolForge

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Related Compounds

2-(4-ethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68185905
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 71150328
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 118052251
(3S)-1-[(2S)-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685703
(3S)-1-[4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685706
2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 142295483
2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 142295488
N-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperazin-1-yl]ethyl]-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]acetamide
CID 155215102
(2S,3R)-2-amino-3-methyl-N-morpholin-4-ylpentanamide;(2R,3R)-2-amino-3-methyl-N-morpholin-4-ylpentanamide;(2S,3S)-2-amino-3-methyl-N-morpholin-4-ylpentanamide;(2R,3S)-2-amino-3-methyl-N-morpholin-4-ylpentanamide
CID 157189755
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N-methylpropanamide;N-(3-aminopropyl)propanamide;1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]propanamide;N,3-dimethylbutanamide;ethane;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N-methylpropanamide;N-(2-methoxyethyl)propanamide;N-[3-(methylamino)propyl]propanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;N-methyl-N-[2-(methylamino)ethyl]propanamide;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one;N-piperidin-4-ylpropanamide;1-piperidin-1-ylpropan-1-one
CID 157229740
tris((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);sulfuric acid
CID 158223641
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 158842354

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 159105749) is (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CC[C@@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is KDVZXYGMIBUVHO-IOLMCIFPSA-N. The full InChI is InChI=1S/4C12H25N3O2/c4*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h4*10-11H,3-9,13H2,1-2H3,(H,14,16)/t2*10-,11+;2*10-,11-/m1010/s1.
What are the key properties of (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 973.40 g/mol, XLogP of -0.77, 24 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 159105749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).