4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid

C13H22N2O6 — CID 107837748

IUPAC4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C13H22N2O6/c1-2-21-12(19)9-4-3-7-15(8-9)13(20)14-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,14,20)(H,17,18)
InChIKeySIHFQESGRHJEDH-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.19
Rot. Bonds6

About 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid

4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107837748) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107837748
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C13H22N2O6/c1-2-21-12(19)9-4-3-7-15(8-9)13(20)14-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,14,20)(H,17,18)
InChIKeySIHFQESGRHJEDH-UHFFFAOYSA-N
XLogP-0.19
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477
ethyl 1-[N'-methyl-N-(3-phenylbutyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993561
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3R)-1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 939416
ethyl 1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 3789651

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid (CID 107837748) is 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid is CCOC(=O)C1CCCN(C(=O)NCCC(O)C(=O)O)C1.
What is the InChIKey of 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is SIHFQESGRHJEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-2-21-12(19)9-4-3-7-15(8-9)13(20)14-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,14,20)(H,17,18).
What are the key properties of 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 302.33 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107837748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).