5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

C14H24N2O4 — CID 79878603

IUPAC5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H24N2O4/c1-9(8-12(18)19)7-11(17)16-13(20)15-10-5-4-6-14(10,2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLMRZVTKCRCZNDK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.89
Rot. Bonds5

About 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 79878603) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID79878603
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H24N2O4/c1-9(8-12(18)19)7-11(17)16-13(20)15-10-5-4-6-14(10,2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLMRZVTKCRCZNDK-UHFFFAOYSA-N
XLogP1.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964927
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 79877852
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
3-methyl-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 62963837

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (CID 79878603) is 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)NC1CCCC1(C)C.
What is the InChIKey of 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is LMRZVTKCRCZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(8-12(18)19)7-11(17)16-13(20)15-10-5-4-6-14(10,2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 79878603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).