(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

C40H84N12O8 — CID 157189755

IUPAC(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
SMILESCC[C@@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NN1CCOCC1
InChIInChI=1S/4C10H21N3O2/c4*1-3-8(2)9(11)10(14)12-13-4-6-15-7-5-13/h4*8-9H,3-7,11H2,1-2H3,(H,12,14)/t2*8-,9+;2*8-,9-/m1010/s1
InChIKeyAPOGIUFZAFZVCE-HBDRGAAASA-N
MW861.19 g/mol
LogP-1.11
Rot. Bonds16

About (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

(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 (PubChem CID 157189755) has the molecular formula C40H84N12O8 and a molecular weight of 861.19 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157189755
Molecular FormulaC40H84N12O8
Molecular Weight861.19 g/mol
Exact Mass860.65
IUPAC Name(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
SMILESCC[C@@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NN1CCOCC1
InChIInChI=1S/4C10H21N3O2/c4*1-3-8(2)9(11)10(14)12-13-4-6-15-7-5-13/h4*8-9H,3-7,11H2,1-2H3,(H,12,14)/t2*8-,9+;2*8-,9-/m1010/s1
InChIKeyAPOGIUFZAFZVCE-HBDRGAAASA-N
XLogP-1.11
TPSA270.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500861.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze (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 with MolForge

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Related Compounds

(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@@H](C)[C@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@@H](N)C(=O)NN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NN1CCOCC1.
What is the InChIKey of (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?
The InChIKey is APOGIUFZAFZVCE-HBDRGAAASA-N. The full InChI is InChI=1S/4C10H21N3O2/c4*1-3-8(2)9(11)10(14)12-13-4-6-15-7-5-13/h4*8-9H,3-7,11H2,1-2H3,(H,12,14)/t2*8-,9+;2*8-,9-/m1010/s1.
What are the key properties of (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?
(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 has a molecular weight of 861.19 g/mol, XLogP of -1.11, 16 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-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 is sourced from PubChem (CID 157189755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).