(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide

C13H27N3O2 — CID 119849934

IUPAC(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)8-12(14)13(17)15-9-11(3)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyHIGGCZLMWKYHGJ-KIYNQFGBSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide

(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide (PubChem CID 119849934) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
PubChem CID119849934
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)8-12(14)13(17)15-9-11(3)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyHIGGCZLMWKYHGJ-KIYNQFGBSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
(2R)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)pentanamide
CID 103813493
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
CID 119878524
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-2-amino-4-methyl-N-morpholin-4-ylpentanamide
CID 83016834
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide (CID 119849934) is (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCC(C)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide?
The InChIKey is HIGGCZLMWKYHGJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)8-12(14)13(17)15-9-11(3)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 119849934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).