[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate

C6H11NO3 — CID 174830594

IUPAC[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@H](CO)C1CC1
InChIInChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9)/t5-/m1/s1
InChIKeyHHUBHGVYMTXARI-RXMQYKEDSA-N
MW145.16 g/mol
LogP-0.15
Rot. Bonds3

About [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate

[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate (PubChem CID 174830594) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate
PubChem CID174830594
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@H](CO)C1CC1
InChIInChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9)/t5-/m1/s1
InChIKeyHHUBHGVYMTXARI-RXMQYKEDSA-N
XLogP-0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The IUPAC name of [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate (CID 174830594) is [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate.
What is the SMILES notation for [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The canonical SMILES for [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate is NC(=O)O[C@H](CO)C1CC1.
What is the InChIKey of [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The InChIKey is HHUBHGVYMTXARI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9)/t5-/m1/s1.
What are the key properties of [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate?
[(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate has a molecular weight of 145.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopropyl-2-hydroxyethyl] carbamate is sourced from PubChem (CID 174830594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).