[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid

C6H13NO4 — CID 87694263

IUPAC[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
SMILESO=C(O)NCCC(CO)CO
InChIInChI=1S/C6H13NO4/c8-3-5(4-9)1-2-7-6(10)11/h5,7-9H,1-4H2,(H,10,11)
InChIKeyNFIOONMCEWQHLT-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.76
Rot. Bonds5

About [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid

[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid (PubChem CID 87694263) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid.

Molecular Properties

Compound Name[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
PubChem CID87694263
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
SMILESO=C(O)NCCC(CO)CO
InChIInChI=1S/C6H13NO4/c8-3-5(4-9)1-2-7-6(10)11/h5,7-9H,1-4H2,(H,10,11)
InChIKeyNFIOONMCEWQHLT-UHFFFAOYSA-N
XLogP-0.76
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [4-hydroxy-3-(hydroxymethyl)butyl]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

(3-amino-4-hydroxybutyl)carbamic acid
CID 129243477
[(4S)-4-amino-5-hydroxypentyl]carbamic acid
CID 87488946
3,3-bis(dimethylsilyl)propylcarbamic acid
CID 173292919
[4-amino-3,4-bis(sulfanyl)butyl]carbamic acid
CID 175220090
3,3-diethoxypropylcarbamic acid
CID 21075732
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
CID 162306513
CID 162306513
[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid
CID 91302836
3-methyloctylcarbamic acid
CID 176952231
acetic acid;2-(2-bromoethyl)propane-1,3-diol
CID 53446872
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430
[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 87527949

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid?
The IUPAC name of [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid (CID 87694263) is [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid.
What is the SMILES notation for [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid?
The canonical SMILES for [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid is O=C(O)NCCC(CO)CO.
What is the InChIKey of [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid?
The InChIKey is NFIOONMCEWQHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c8-3-5(4-9)1-2-7-6(10)11/h5,7-9H,1-4H2,(H,10,11).
What are the key properties of [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid?
[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid has a molecular weight of 163.17 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid is sourced from PubChem (CID 87694263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).