(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid

C14H26N2O3 — CID 93252644

IUPAC(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid
SMILESCCC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-12(14(18)19)15-7-13(17)16-8-10(2)6-11(3)9-16/h10-12,15H,4-9H2,1-3H3,(H,18,19)/t10-,11+,12-/m1/s1
InChIKeyBBVMISRNKBQCNP-GRYCIOLGSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds6

About (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid

(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid (PubChem CID 93252644) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid
PubChem CID93252644
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid
SMILESCCC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-12(14(18)19)15-7-13(17)16-8-10(2)6-11(3)9-16/h10-12,15H,4-9H2,1-3H3,(H,18,19)/t10-,11+,12-/m1/s1
InChIKeyBBVMISRNKBQCNP-GRYCIOLGSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic 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 (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid (CID 93252644) is (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid is CCC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is BBVMISRNKBQCNP-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-12(14(18)19)15-7-13(17)16-8-10(2)6-11(3)9-16/h10-12,15H,4-9H2,1-3H3,(H,18,19)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid?
(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 93252644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).