2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid

C12H18N2O3 — CID 120613726

IUPAC2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H18N2O3/c1-2-7-14(8-10(15)16)11(17)12(9-13)5-3-4-6-12/h2-8H2,1H3,(H,15,16)
InChIKeyUJIUEYIFWQMAOC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.39
Rot. Bonds5

About 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid

2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid (PubChem CID 120613726) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
PubChem CID120613726
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H18N2O3/c1-2-7-14(8-10(15)16)11(17)12(9-13)5-3-4-6-12/h2-8H2,1H3,(H,15,16)
InChIKeyUJIUEYIFWQMAOC-UHFFFAOYSA-N
XLogP1.39
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide
CID 55135248
N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide
CID 80598509
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102978850
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
CID 80591690
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid (CID 120613726) is 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1(C#N)CCCC1.
What is the InChIKey of 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid?
The InChIKey is UJIUEYIFWQMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-7-14(8-10(15)16)11(17)12(9-13)5-3-4-6-12/h2-8H2,1H3,(H,15,16).
What are the key properties of 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid?
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid is sourced from PubChem (CID 120613726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).