2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 68765529

IUPAC2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C)C1CCC(N2CC[C@H](N)C2=O)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-9(2)17(3)10-4-5-13(11(8-10)15(20)21)18-7-6-12(16)14(18)19/h9-13H,4-8,16H2,1-3H3,(H,20,21)/t10?,11?,12-,13?/m0/s1
InChIKeyYXYFSIROFVPRGP-ARAJFMJPSA-N
MW297.40 g/mol
LogP0.51
Rot. Bonds4

About 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 68765529) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID68765529
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C)C1CCC(N2CC[C@H](N)C2=O)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-9(2)17(3)10-4-5-13(11(8-10)15(20)21)18-7-6-12(16)14(18)19/h9-13H,4-8,16H2,1-3H3,(H,20,21)/t10?,11?,12-,13?/m0/s1
InChIKeyYXYFSIROFVPRGP-ARAJFMJPSA-N
XLogP0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 68765529) is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid is CC(C)N(C)C1CCC(N2CC[C@H](N)C2=O)C(C(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YXYFSIROFVPRGP-ARAJFMJPSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-9(2)17(3)10-4-5-13(11(8-10)15(20)21)18-7-6-12(16)14(18)19/h9-13H,4-8,16H2,1-3H3,(H,20,21)/t10?,11?,12-,13?/m0/s1.
What are the key properties of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 68765529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).