3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid

C11H20N2O5 — CID 61199165

IUPAC3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CCN(C(=O)NC(C(=O)O)C(C)O)CC1
InChIInChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)12-11(17)13-5-3-8(18-2)4-6-13/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyYLAOWSUVBDFLBE-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

About 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid

3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 61199165) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
PubChem CID61199165
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CCN(C(=O)NC(C(=O)O)C(C)O)CC1
InChIInChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)12-11(17)13-5-3-8(18-2)4-6-13/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyYLAOWSUVBDFLBE-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
(2S,3R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966194
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
CID 115535272
(2S,3R)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 107877457
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 104966563

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid (CID 61199165) is 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid is COC1CCN(C(=O)NC(C(=O)O)C(C)O)CC1.
What is the InChIKey of 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is YLAOWSUVBDFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)12-11(17)13-5-3-8(18-2)4-6-13/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61199165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).