(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid

C13H22N2O5 — CID 63131411

IUPAC(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
SMILESCCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O5/c1-2-13(6-3-7-14-8-13)12(20)15-9(11(18)19)4-5-10(16)17/h9,14H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t9-,13?/m0/s1
InChIKeyQMAYIHACAOXGLJ-LLTODGECSA-N
MW286.33 g/mol
LogP0.20
Rot. Bonds7

About (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid

(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid (PubChem CID 63131411) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
PubChem CID63131411
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
SMILESCCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O5/c1-2-13(6-3-7-14-8-13)12(20)15-9(11(18)19)4-5-10(16)17/h9,14H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t9-,13?/m0/s1
InChIKeyQMAYIHACAOXGLJ-LLTODGECSA-N
XLogP0.20
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic 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

2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 63133312
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
(2S)-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanedioic acid
CID 63710248
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475549
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid (CID 63131411) is (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid is CCC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCNC1.
What is the InChIKey of (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is QMAYIHACAOXGLJ-LLTODGECSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-13(6-3-7-14-8-13)12(20)15-9(11(18)19)4-5-10(16)17/h9,14H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t9-,13?/m0/s1.
What are the key properties of (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid?
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 286.33 g/mol, XLogP of 0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 63131411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).