5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid

C12H18N2O3 — CID 62961989

IUPAC5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CCCC1C#N
InChIInChI=1S/C12H18N2O3/c1-8(6-12(16)17)5-11(15)14-10-4-2-3-9(10)7-13/h8-10H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUTNYIBGIOBNPGC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.30
Rot. Bonds5

About 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid

5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62961989) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62961989
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CCCC1C#N
InChIInChI=1S/C12H18N2O3/c1-8(6-12(16)17)5-11(15)14-10-4-2-3-9(10)7-13/h8-10H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUTNYIBGIOBNPGC-UHFFFAOYSA-N
XLogP1.30
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
CID 107214806
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964927
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158907
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
N-(2-cyanocyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 79602744
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid (CID 62961989) is 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC1CCCC1C#N.
What is the InChIKey of 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is UTNYIBGIOBNPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(6-12(16)17)5-11(15)14-10-4-2-3-9(10)7-13/h8-10H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).