4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid

C13H23N3O4 — CID 80541892

IUPAC4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)6-7-15-13(20)16(8-11(14)17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyVJQNUWZGZBBZEF-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds7

About 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid

4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 80541892) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID80541892
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)6-7-15-13(20)16(8-11(14)17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyVJQNUWZGZBBZEF-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid with MolForge

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Related Compounds

2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109953
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686476
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541763
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid (CID 80541892) is 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O.
What is the InChIKey of 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is VJQNUWZGZBBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(18)19)6-7-15-13(20)16(8-11(14)17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80541892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).