N-[(2S)-3-aminobutan-2-yl]acetamide

C6H14N2O — CID 58714923

IUPACN-[(2S)-3-aminobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(C)N
InChIInChI=1S/C6H14N2O/c1-4(7)5(2)8-6(3)9/h4-5H,7H2,1-3H3,(H,8,9)/t4?,5-/m0/s1
InChIKeyRZEAUMZACQLLSC-AKGZTFGVSA-N
MW130.19 g/mol
LogP-0.14
Rot. Bonds2

About N-[(2S)-3-aminobutan-2-yl]acetamide

N-[(2S)-3-aminobutan-2-yl]acetamide (PubChem CID 58714923) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-[(2S)-3-aminobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-aminobutan-2-yl]acetamide
PubChem CID58714923
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-[(2S)-3-aminobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(C)N
InChIInChI=1S/C6H14N2O/c1-4(7)5(2)8-6(3)9/h4-5H,7H2,1-3H3,(H,8,9)/t4?,5-/m0/s1
InChIKeyRZEAUMZACQLLSC-AKGZTFGVSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3-aminobutan-2-yl]acetamide 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

N-(3-aminobutan-2-yl)ethanethioamide
CID 88670413
N-[(2R,3R)-3-bromobutan-2-yl]acetamide
CID 130631438
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
N-[(1S)-1-amino-3-methylbutyl]acetamide
CID 58319717
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
N-(3-aminobutan-2-yl)cyclopentanecarboxamide
CID 130908658
CID 86589108
CID 86589108
[(2R,3R)-3-aminobutan-2-yl]carbamodithioic acid
CID 130787867
methyl (2R)-2-acetamidopropanoate
CID 6951031
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(1-fluoroethyl)acetamide
CID 123354067

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-aminobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-aminobutan-2-yl]acetamide (CID 58714923) is N-[(2S)-3-aminobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-aminobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-aminobutan-2-yl]acetamide is CC(=O)N[C@@H](C)C(C)N.
What is the InChIKey of N-[(2S)-3-aminobutan-2-yl]acetamide?
The InChIKey is RZEAUMZACQLLSC-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(7)5(2)8-6(3)9/h4-5H,7H2,1-3H3,(H,8,9)/t4?,5-/m0/s1.
What are the key properties of N-[(2S)-3-aminobutan-2-yl]acetamide?
N-[(2S)-3-aminobutan-2-yl]acetamide has a molecular weight of 130.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-aminobutan-2-yl]acetamide is sourced from PubChem (CID 58714923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).