4-amino-N-(2-oxoethyl)pentanamide

C7H14N2O2 — CID 143686044

IUPAC4-amino-N-(2-oxoethyl)pentanamide
SMILESCC(N)CCC(=O)NCC=O
InChIInChI=1S/C7H14N2O2/c1-6(8)2-3-7(11)9-4-5-10/h5-6H,2-4,8H2,1H3,(H,9,11)
InChIKeyYRWPECMFGGRHML-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.57
Rot. Bonds5

About 4-amino-N-(2-oxoethyl)pentanamide

4-amino-N-(2-oxoethyl)pentanamide (PubChem CID 143686044) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-amino-N-(2-oxoethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-oxoethyl)pentanamide
PubChem CID143686044
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-amino-N-(2-oxoethyl)pentanamide
SMILESCC(N)CCC(=O)NCC=O
InChIInChI=1S/C7H14N2O2/c1-6(8)2-3-7(11)9-4-5-10/h5-6H,2-4,8H2,1H3,(H,9,11)
InChIKeyYRWPECMFGGRHML-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-formylpentanamide
CID 143583899
(4R)-4-amino-N-propylpentanamide
CID 146234117
N-ethyl-N'-(2-oxoethyl)pentanediamide
CID 138599289
4-amino-N-(2-methylprop-2-enyl)pentanamide
CID 114617045
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxoethyl)pentanamide?
The IUPAC name of 4-amino-N-(2-oxoethyl)pentanamide (CID 143686044) is 4-amino-N-(2-oxoethyl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-oxoethyl)pentanamide?
The canonical SMILES for 4-amino-N-(2-oxoethyl)pentanamide is CC(N)CCC(=O)NCC=O.
What is the InChIKey of 4-amino-N-(2-oxoethyl)pentanamide?
The InChIKey is YRWPECMFGGRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(8)2-3-7(11)9-4-5-10/h5-6H,2-4,8H2,1H3,(H,9,11).
What are the key properties of 4-amino-N-(2-oxoethyl)pentanamide?
4-amino-N-(2-oxoethyl)pentanamide has a molecular weight of 158.20 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxoethyl)pentanamide is sourced from PubChem (CID 143686044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).