N-[(1S)-1-amino-3-methylbutyl]acetamide

C7H16N2O — CID 58319717

IUPACN-[(1S)-1-amino-3-methylbutyl]acetamide
SMILESCC(=O)N[C@H](N)CC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)4-7(8)9-6(3)10/h5,7H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyKJSTZTCIOAHTSX-ZETCQYMHSA-N
MW144.22 g/mol
LogP0.45
Rot. Bonds3

About N-[(1S)-1-amino-3-methylbutyl]acetamide

N-[(1S)-1-amino-3-methylbutyl]acetamide (PubChem CID 58319717) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(1S)-1-amino-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-amino-3-methylbutyl]acetamide
PubChem CID58319717
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(1S)-1-amino-3-methylbutyl]acetamide
SMILESCC(=O)N[C@H](N)CC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)4-7(8)9-6(3)10/h5,7H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyKJSTZTCIOAHTSX-ZETCQYMHSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
ethane;formic acid;N-(4-methylpentan-2-yl)acetamide
CID 144674968
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905
methyl (2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963903
(4R)-4-acetamido-6-methyl-2-oxoheptanoic acid
CID 165355470
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
CID 175756244
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
N-[(1S)-3-methyl-1-[(2R)-oxiran-2-yl]butyl]acetamide
CID 102399129

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-amino-3-methylbutyl]acetamide?
The IUPAC name of N-[(1S)-1-amino-3-methylbutyl]acetamide (CID 58319717) is N-[(1S)-1-amino-3-methylbutyl]acetamide.
What is the SMILES notation for N-[(1S)-1-amino-3-methylbutyl]acetamide?
The canonical SMILES for N-[(1S)-1-amino-3-methylbutyl]acetamide is CC(=O)N[C@H](N)CC(C)C.
What is the InChIKey of N-[(1S)-1-amino-3-methylbutyl]acetamide?
The InChIKey is KJSTZTCIOAHTSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)4-7(8)9-6(3)10/h5,7H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-amino-3-methylbutyl]acetamide?
N-[(1S)-1-amino-3-methylbutyl]acetamide has a molecular weight of 144.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-amino-3-methylbutyl]acetamide is sourced from PubChem (CID 58319717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).