3-amino-N-[(2S)-butan-2-yl]butanamide

C8H18N2O — CID 142118681

IUPAC3-amino-N-[(2S)-butan-2-yl]butanamide
SMILESCC[C@H](C)NC(=O)CC(C)N
InChIInChI=1S/C8H18N2O/c1-4-7(3)10-8(11)5-6(2)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyDJTZCOLMYQVWKL-MLWJPKLSSA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-N-[(2S)-butan-2-yl]butanamide

3-amino-N-[(2S)-butan-2-yl]butanamide (PubChem CID 142118681) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-N-[(2S)-butan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-butan-2-yl]butanamide
PubChem CID142118681
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-N-[(2S)-butan-2-yl]butanamide
SMILESCC[C@H](C)NC(=O)CC(C)N
InChIInChI=1S/C8H18N2O/c1-4-7(3)10-8(11)5-6(2)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyDJTZCOLMYQVWKL-MLWJPKLSSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(2S)-butan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminobutanoylamino)butanoic acid
CID 61160048
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
3-amino-N-heptan-2-ylbutanamide
CID 60836862
3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
3-amino-N-butan-2-ylpropanamide
CID 16784988
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-butan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[(2S)-butan-2-yl]butanamide (CID 142118681) is 3-amino-N-[(2S)-butan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[(2S)-butan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[(2S)-butan-2-yl]butanamide is CC[C@H](C)NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[(2S)-butan-2-yl]butanamide?
The InChIKey is DJTZCOLMYQVWKL-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-7(3)10-8(11)5-6(2)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-butan-2-yl]butanamide?
3-amino-N-[(2S)-butan-2-yl]butanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-butan-2-yl]butanamide is sourced from PubChem (CID 142118681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).