methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate

C10H18N2O4 — CID 107222681

IUPACmethyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyFCKGCLBZOBGQGI-JAMMHHFISA-N
MW230.26 g/mol
LogP-1.36
Rot. Bonds4

About methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate

methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate (PubChem CID 107222681) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
PubChem CID107222681
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyFCKGCLBZOBGQGI-JAMMHHFISA-N
XLogP-1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016
propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
CID 119338471
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate (CID 107222681) is methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate is COC(=O)C(O)CNC(=O)[C@H]1CCCNC1.
What is the InChIKey of methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate?
The InChIKey is FCKGCLBZOBGQGI-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1.
What are the key properties of methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate?
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate has a molecular weight of 230.26 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 107222681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).