1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C11H17NO3 — CID 4962582

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NC1CC1
InChIInChI=1S/C11H17NO3/c13-9(12-8-3-4-8)7-11(10(14)15)5-1-2-6-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyOTGXRCJLUXOFHD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 4962582) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID4962582
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NC1CC1
InChIInChI=1S/C11H17NO3/c13-9(12-8-3-4-8)7-11(10(14)15)5-1-2-6-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyOTGXRCJLUXOFHD-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637
2-(1-(2-(Cyclopropylamino)-2-oxoethyl)cyclopentyl)acetic acid
CID 1547707
2-(Cyclopropylcarbamoyl)cyclohexanecarboxylic acid
CID 2737700
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
1-[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61605745
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 63225906
1-[2-Oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 106208771
1-[2-Oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 106290398
1-[2-Oxo-2-(4,4,4-trifluorobutylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113326810
1-[2-Oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113463154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 4962582) is 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is OTGXRCJLUXOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9(12-8-3-4-8)7-11(10(14)15)5-1-2-6-11/h8H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 4962582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).