2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid

C15H20N2O3 — CID 61186434

IUPAC2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCCN(Cc1ccccc1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-16(10-12-6-4-3-5-7-12)15(20)17(11-14(18)19)13-8-9-13/h3-7,13H,2,8-11H2,1H3,(H,18,19)
InChIKeyKTHUEHLXXWBJAI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid

2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid (PubChem CID 61186434) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
PubChem CID61186434
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCCN(Cc1ccccc1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-16(10-12-6-4-3-5-7-12)15(20)17(11-14(18)19)13-8-9-13/h3-7,13H,2,8-11H2,1H3,(H,18,19)
InChIKeyKTHUEHLXXWBJAI-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]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

1-benzyl-3-(1,1-dioxothiolan-3-yl)-1,3-diethylurea
CID 108988980
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-1,3-diethyl-3-sulfanylurea
CID 88794196
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
N-benzyl-2-[cyclopentyl(propan-2-yl)amino]-N-ethylacetamide
CID 56570177
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid (CID 61186434) is 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid is CCN(Cc1ccccc1)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The InChIKey is KTHUEHLXXWBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16(10-12-6-4-3-5-7-12)15(20)17(11-14(18)19)13-8-9-13/h3-7,13H,2,8-11H2,1H3,(H,18,19).
What are the key properties of 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 61186434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).