1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 61160411

IUPAC1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)NCCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-8-5-10(15)14-12(11(16)17)6-3-4-7-12/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXAOAYIGHRIDJPP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds6

About 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61160411) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID61160411
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)NCCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-8-5-10(15)14-12(11(16)17)6-3-4-7-12/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXAOAYIGHRIDJPP-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid (CID 61160411) is 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid is CC(C)NCCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XAOAYIGHRIDJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)13-8-5-10(15)14-12(11(16)17)6-3-4-7-12/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61160411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).