2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid

C10H18N2O4 — CID 106109025

IUPAC2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(10(14)15)6-12-9(13)7-4-2-3-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVCKMCGWCFPQZSI-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.66
Rot. Bonds5

About 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid

2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid (PubChem CID 106109025) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
PubChem CID106109025
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(10(14)15)6-12-9(13)7-4-2-3-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVCKMCGWCFPQZSI-UHFFFAOYSA-N
XLogP-0.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid (CID 106109025) is 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid is COC(CNC(=O)C1CCCCN1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid?
The InChIKey is VCKMCGWCFPQZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-8(10(14)15)6-12-9(13)7-4-2-3-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid?
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 106109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).