3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid

C12H20N2O6 — CID 115535272

IUPAC3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC(=O)C1CCCN(C(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C12H20N2O6/c1-7(15)9(10(16)17)13-12(19)14-5-3-4-8(6-14)11(18)20-2/h7-9,15H,3-6H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyWIGUUMOCIJSFNT-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.58
Rot. Bonds4

About 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid

3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 115535272) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID115535272
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC(=O)C1CCCN(C(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C12H20N2O6/c1-7(15)9(10(16)17)13-12(19)14-5-3-4-8(6-14)11(18)20-2/h7-9,15H,3-6H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyWIGUUMOCIJSFNT-UHFFFAOYSA-N
XLogP-0.58
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103197172
(2S,3R)-2-[(3-aminopiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965949
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
(2S,3R)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 104966362
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid (CID 115535272) is 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid is COC(=O)C1CCCN(C(=O)NC(C(=O)O)C(C)O)C1.
What is the InChIKey of 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is WIGUUMOCIJSFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-7(15)9(10(16)17)13-12(19)14-5-3-4-8(6-14)11(18)20-2/h7-9,15H,3-6H2,1-2H3,(H,13,19)(H,16,17).
What are the key properties of 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 115535272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).