3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid

C11H20N2O4 — CID 103157185

IUPAC3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)C1CCCCN1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBECCWHGDPHGAB-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds6

About 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid

3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid (PubChem CID 103157185) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
PubChem CID103157185
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)C1CCCCN1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBECCWHGDPHGAB-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
CID 103157085
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid (CID 103157185) is 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid is COC(CNC(=O)C1CCCCN1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid?
The InChIKey is GBECCWHGDPHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid?
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 103157185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).