1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 61452408

IUPAC1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-19-9-8-15(10-4-5-10)12(18)14-13(11(16)17)6-2-3-7-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyDAGYPZQMCKBMIQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.20
Rot. Bonds6

About 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61452408) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61452408
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-19-9-8-15(10-4-5-10)12(18)14-13(11(16)17)6-2-3-7-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyDAGYPZQMCKBMIQ-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 54997563
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62849750
1-[[butyl(cyclopropyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61443998
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61449689
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61452408) is 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is COCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DAGYPZQMCKBMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-9-8-15(10-4-5-10)12(18)14-13(11(16)17)6-2-3-7-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61452408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).