2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid

C12H22N2O3 — CID 64686451

IUPAC2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1(C)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-8-14(9-10(15)16)11(17)13-12(2)6-4-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJPWLRLJSOTXYRG-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds5

About 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid

2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid (PubChem CID 64686451) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
PubChem CID64686451
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1(C)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-8-14(9-10(15)16)11(17)13-12(2)6-4-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJPWLRLJSOTXYRG-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 64688064
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
CID 114114263
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid (CID 64686451) is 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NC1(C)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid?
The InChIKey is JPWLRLJSOTXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-8-14(9-10(15)16)11(17)13-12(2)6-4-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid?
2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 64686451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).