3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid

C12H22N2O3 — CID 61194349

IUPAC3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(9-8-11(15)16)12(17)13(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyPFMQTFFFPCGJQB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds5

About 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid

3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid (PubChem CID 61194349) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
PubChem CID61194349
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(9-8-11(15)16)12(17)13(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyPFMQTFFFPCGJQB-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic 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-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191817
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
3-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-ethylamino]propanoic acid
CID 61204866
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
CID 61191644
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid (CID 61194349) is 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid?
The InChIKey is PFMQTFFFPCGJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(9-8-11(15)16)12(17)13(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid?
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61194349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).