2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 103978414

IUPAC2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)CN(CCC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-8-16-13(18)10-17(9-4-2)14(19)11-6-5-7-12(11)15(20)21/h11-12H,3-10H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyFAYLCFAVKYWQSY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds8

About 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid

2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978414) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978414
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)CN(CCC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-8-16-13(18)10-17(9-4-2)14(19)11-6-5-7-12(11)15(20)21/h11-12H,3-10H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyFAYLCFAVKYWQSY-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978393
N-[2-oxo-2-(propylamino)ethyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119299137
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741253
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 10037452
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092043
2-(6-chloro-1H-benzimidazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylcyclohexane-1-carboxamide
CID 75451097
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978414) is 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid is CCCNC(=O)CN(CCC)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FAYLCFAVKYWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-8-16-13(18)10-17(9-4-2)14(19)11-6-5-7-12(11)15(20)21/h11-12H,3-10H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).