(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid

C11H20N2O3 — CID 66009453

IUPAC(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)7-3-4-8(12)5-7/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyTVQAELHRJCKTDP-AMDVSUOASA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 66009453) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID66009453
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)7-3-4-8(12)5-7/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyTVQAELHRJCKTDP-AMDVSUOASA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic 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

(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119809032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid (CID 66009453) is (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C1CCC(N)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is TVQAELHRJCKTDP-AMDVSUOASA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)7-3-4-8(12)5-7/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 66009453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).