2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid

C12H20N2O3S — CID 80743539

IUPAC2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCC1(CNC(=O)N(CC(=O)O)C2CC2)CCCS1
InChIInChI=1S/C12H20N2O3S/c1-12(5-2-6-18-12)8-13-11(17)14(7-10(15)16)9-3-4-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUXOHXIQFOAEIRE-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.53
Rot. Bonds5

About 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 80743539) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID80743539
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCC1(CNC(=O)N(CC(=O)O)C2CC2)CCCS1
InChIInChI=1S/C12H20N2O3S/c1-12(5-2-6-18-12)8-13-11(17)14(7-10(15)16)9-3-4-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUXOHXIQFOAEIRE-UHFFFAOYSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic 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

N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
1-ethyl-1-(2-methylprop-2-enyl)-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97320699
1-ethyl-1-(2-methylprop-2-enyl)-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97320698
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[(2S)-2-methylthiolan-2-yl]acetic acid
CID 129363672

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid (CID 80743539) is 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid is CC1(CNC(=O)N(CC(=O)O)C2CC2)CCCS1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is UXOHXIQFOAEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(5-2-6-18-12)8-13-11(17)14(7-10(15)16)9-3-4-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 80743539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).