(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide

C15H29N3O2 — CID 119687909

IUPAC(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C15H29N3O2/c1-12(2)11-13(16)15(20)17-8-6-10-18-9-5-3-4-7-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPRHKDXNMLHROQF-ZDUSSCGKSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide

(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide (PubChem CID 119687909) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
PubChem CID119687909
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C15H29N3O2/c1-12(2)11-13(16)15(20)17-8-6-10-18-9-5-3-4-7-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPRHKDXNMLHROQF-ZDUSSCGKSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
1-ethyl-2-(2-methylpropyl)-3-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111179205

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide (CID 119687909) is (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCCN1CCCCCC1=O.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide?
The InChIKey is PRHKDXNMLHROQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)11-13(16)15(20)17-8-6-10-18-9-5-3-4-7-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide is sourced from PubChem (CID 119687909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).