(2-hydroxy-3-methylbutyl)carbamic acid

C6H13NO3 — CID 135330394

IUPAC(2-hydroxy-3-methylbutyl)carbamic acid
SMILESCC(C)C(O)CNC(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)5(8)3-7-6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)
InChIKeyVFKJXHPPSRYMNM-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.27
Rot. Bonds3

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

(2-hydroxy-3-methylbutyl)carbamic acid (PubChem CID 135330394) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2-hydroxy-3-methylbutyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxy-3-methylbutyl)carbamic acid
PubChem CID135330394
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2-hydroxy-3-methylbutyl)carbamic acid
SMILESCC(C)C(O)CNC(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)5(8)3-7-6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)
InChIKeyVFKJXHPPSRYMNM-UHFFFAOYSA-N
XLogP0.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
ethyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 112702713
(3-hydroxy-2-methylpentyl)carbamic acid
CID 166728849
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
4-[(2-hydroxy-3-methylbutyl)carbamoylamino]butanoic acid
CID 122023155
[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
CID 90470587
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylbutyl)carbamic acid?
The IUPAC name of (2-hydroxy-3-methylbutyl)carbamic acid (CID 135330394) is (2-hydroxy-3-methylbutyl)carbamic acid.
What is the SMILES notation for (2-hydroxy-3-methylbutyl)carbamic acid?
The canonical SMILES for (2-hydroxy-3-methylbutyl)carbamic acid is CC(C)C(O)CNC(=O)O.
What is the InChIKey of (2-hydroxy-3-methylbutyl)carbamic acid?
The InChIKey is VFKJXHPPSRYMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(2)5(8)3-7-6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10).
What are the key properties of (2-hydroxy-3-methylbutyl)carbamic acid?
(2-hydroxy-3-methylbutyl)carbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylbutyl)carbamic acid is sourced from PubChem (CID 135330394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).