2-amino-N-formyl-3-methylbutanamide

C6H12N2O2 — CID 22035229

IUPAC2-amino-N-formyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(7)6(10)8-3-9/h3-5H,7H2,1-2H3,(H,8,9,10)
InChIKeyDHIDAOLKNAOAGF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.76
Rot. Bonds3

About 2-amino-N-formyl-3-methylbutanamide

2-amino-N-formyl-3-methylbutanamide (PubChem CID 22035229) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-amino-N-formyl-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-formyl-3-methylbutanamide
PubChem CID22035229
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-amino-N-formyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(7)6(10)8-3-9/h3-5H,7H2,1-2H3,(H,8,9,10)
InChIKeyDHIDAOLKNAOAGF-UHFFFAOYSA-N
XLogP-0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.76
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,4S)-4-amino-N-formyl-5,5-dimethyl-3-oxo-2-propan-2-ylhexanamide
CID 89378021
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-3-methyl-N-methylsulfanylbutanamide
CID 166777810
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-formyl-3-methylbutanamide?
The IUPAC name of 2-amino-N-formyl-3-methylbutanamide (CID 22035229) is 2-amino-N-formyl-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-formyl-3-methylbutanamide?
The canonical SMILES for 2-amino-N-formyl-3-methylbutanamide is CC(C)C(N)C(=O)NC=O.
What is the InChIKey of 2-amino-N-formyl-3-methylbutanamide?
The InChIKey is DHIDAOLKNAOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5(7)6(10)8-3-9/h3-5H,7H2,1-2H3,(H,8,9,10).
What are the key properties of 2-amino-N-formyl-3-methylbutanamide?
2-amino-N-formyl-3-methylbutanamide has a molecular weight of 144.17 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-formyl-3-methylbutanamide is sourced from PubChem (CID 22035229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).