3-amino-N-formylpentanamide

C6H12N2O2 — CID 142226240

IUPAC3-amino-N-formylpentanamide
SMILESCCC(N)CC(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-2-5(7)3-6(10)8-4-9/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyPGHUTNSPJFQJHT-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.61
Rot. Bonds4

About 3-amino-N-formylpentanamide

3-amino-N-formylpentanamide (PubChem CID 142226240) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-N-formylpentanamide.

Molecular Properties

Compound Name3-amino-N-formylpentanamide
PubChem CID142226240
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-N-formylpentanamide
SMILESCCC(N)CC(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-2-5(7)3-6(10)8-4-9/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyPGHUTNSPJFQJHT-UHFFFAOYSA-N
XLogP-0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.61
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

(2R)-2-amino-4-formamido-4-oxobutanoic acid
CID 131868745
4-amino-N-formylpentanamide
CID 143583899
4-formamido-2-methyl-4-oxobutanoic acid
CID 169139394
3-amino-N-phenylpentanamide
CID 79006475
1,4-diaminohexan-2-one
CID 151855121
3-amino-N-cyclopropylsulfonylpentanamide
CID 103308447
(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
CID 107825179
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
methyl (2S)-2-(3-aminopentanoylamino)-4-methylpentanoate
CID 103954820
3-amino-N-hex-5-ynylpentanamide
CID 106213039
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-formylpentanamide?
The IUPAC name of 3-amino-N-formylpentanamide (CID 142226240) is 3-amino-N-formylpentanamide.
What is the SMILES notation for 3-amino-N-formylpentanamide?
The canonical SMILES for 3-amino-N-formylpentanamide is CCC(N)CC(=O)NC=O.
What is the InChIKey of 3-amino-N-formylpentanamide?
The InChIKey is PGHUTNSPJFQJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-5(7)3-6(10)8-4-9/h4-5H,2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 3-amino-N-formylpentanamide?
3-amino-N-formylpentanamide has a molecular weight of 144.17 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-formylpentanamide is sourced from PubChem (CID 142226240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).