propan-2-yloxymethylcarbamic acid

C5H11NO3 — CID 175833314

IUPACpropan-2-yloxymethylcarbamic acid
SMILESCC(C)OCNC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(2)9-3-6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeySATIQZQBQMCGMG-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.64
Rot. Bonds3

About propan-2-yloxymethylcarbamic acid

propan-2-yloxymethylcarbamic acid (PubChem CID 175833314) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is propan-2-yloxymethylcarbamic acid.

Molecular Properties

Compound Namepropan-2-yloxymethylcarbamic acid
PubChem CID175833314
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namepropan-2-yloxymethylcarbamic acid
SMILESCC(C)OCNC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(2)9-3-6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeySATIQZQBQMCGMG-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propan-2-yloxymethylcarbamic 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

(2-amino-3-propan-2-yloxypropyl)carbamic acid
CID 90113909
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
N-(propan-2-yloxymethyl)oxirane-2-carboxamide
CID 45084561
(2-propan-2-yloxyethylamino)carbamic acid
CID 88575815
3,3-diethoxypropylcarbamic acid
CID 21075732
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
2-(2-hydroxyethoxy)propylcarbamic acid
CID 87536383
2-(2-aminoethoxy)propylcarbamic acid
CID 175060404
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
2-propan-2-yloxyethylurea
CID 22179539
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxymethylcarbamic acid?
The IUPAC name of propan-2-yloxymethylcarbamic acid (CID 175833314) is propan-2-yloxymethylcarbamic acid.
What is the SMILES notation for propan-2-yloxymethylcarbamic acid?
The canonical SMILES for propan-2-yloxymethylcarbamic acid is CC(C)OCNC(=O)O.
What is the InChIKey of propan-2-yloxymethylcarbamic acid?
The InChIKey is SATIQZQBQMCGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(2)9-3-6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of propan-2-yloxymethylcarbamic acid?
propan-2-yloxymethylcarbamic acid has a molecular weight of 133.15 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethylcarbamic acid is sourced from PubChem (CID 175833314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).