(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid

C12H20N2O4 — CID 107175319

IUPAC(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCC1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7-3-2-4-8(7)11(16)14-9(12(17)18)5-6-10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8?,9-/m0/s1
InChIKeyIFKZJYPZYJDTTL-HACHORDNSA-N
MW256.30 g/mol
LogP0.26
Rot. Bonds6

About (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid (PubChem CID 107175319) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
PubChem CID107175319
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCC1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7-3-2-4-8(7)11(16)14-9(12(17)18)5-6-10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8?,9-/m0/s1
InChIKeyIFKZJYPZYJDTTL-HACHORDNSA-N
XLogP0.26
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
CID 98541910
3-fluoro-2-[(2-methylcyclohexanecarbonyl)amino]propanoic acid
CID 122129414
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175538
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560861

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid (CID 107175319) is (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid is CC1CCCC1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The InChIKey is IFKZJYPZYJDTTL-HACHORDNSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7-3-2-4-8(7)11(16)14-9(12(17)18)5-6-10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107175319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).