(3-hydroxy-2-methylpentyl)carbamic acid

C7H15NO3 — CID 166728849

IUPAC(3-hydroxy-2-methylpentyl)carbamic acid
SMILESCCC(O)C(C)CNC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-6(9)5(2)4-8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyVUMDYLVXAWDWRO-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.66
Rot. Bonds4

About (3-hydroxy-2-methylpentyl)carbamic acid

(3-hydroxy-2-methylpentyl)carbamic acid (PubChem CID 166728849) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3-hydroxy-2-methylpentyl)carbamic acid.

Molecular Properties

Compound Name(3-hydroxy-2-methylpentyl)carbamic acid
PubChem CID166728849
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3-hydroxy-2-methylpentyl)carbamic acid
SMILESCCC(O)C(C)CNC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-6(9)5(2)4-8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyVUMDYLVXAWDWRO-UHFFFAOYSA-N
XLogP0.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-2-methylpentyl)carbamic acid 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

[(2S)-2-methylbutyl]carbamic acid
CID 147069594
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
(3,3-difluoro-2-methylpropyl)carbamic acid
CID 88688289
5-hydroxy-2,4-dimethylheptanoic acid
CID 59763149
1-anilino-2-methylpentan-3-ol
CID 69294698
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
5-methylheptane-3,4-diol
CID 21486220
6-hydroxy-5-methyl-2-methylideneoctanoic acid
CID 57135378
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
(4R)-4-methylheptan-3-ol
CID 12799251
3-hydroxy-2-propan-2-ylpentanoic acid
CID 62398643
2,2-dimethoxyethylcarbamic acid
CID 18938836

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylpentyl)carbamic acid?
The IUPAC name of (3-hydroxy-2-methylpentyl)carbamic acid (CID 166728849) is (3-hydroxy-2-methylpentyl)carbamic acid.
What is the SMILES notation for (3-hydroxy-2-methylpentyl)carbamic acid?
The canonical SMILES for (3-hydroxy-2-methylpentyl)carbamic acid is CCC(O)C(C)CNC(=O)O.
What is the InChIKey of (3-hydroxy-2-methylpentyl)carbamic acid?
The InChIKey is VUMDYLVXAWDWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-6(9)5(2)4-8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of (3-hydroxy-2-methylpentyl)carbamic acid?
(3-hydroxy-2-methylpentyl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylpentyl)carbamic acid is sourced from PubChem (CID 166728849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).