methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate

C9H12N2O3 — CID 62005676

IUPACmethyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)7(6-12)11-8-4-2-3-5-10-8/h2-5,7,12H,6H2,1H3,(H,10,11)
InChIKeySBPAMGFLHATXBU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds4

About methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate

methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate (PubChem CID 62005676) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
PubChem CID62005676
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)7(6-12)11-8-4-2-3-5-10-8/h2-5,7,12H,6H2,1H3,(H,10,11)
InChIKeySBPAMGFLHATXBU-UHFFFAOYSA-N
XLogP0.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
(3S)-4-methoxy-4-oxo-3-[3-(pyridin-2-ylamino)propanoylamino]butanoic acid
CID 166386107
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
CID 104733374
methyl 2-[(5-bromoisoquinolin-1-yl)amino]-3-hydroxypropanoate
CID 106541901

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate (CID 62005676) is methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate is COC(=O)C(CO)Nc1ccccn1.
What is the InChIKey of methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate?
The InChIKey is SBPAMGFLHATXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9(13)7(6-12)11-8-4-2-3-5-10-8/h2-5,7,12H,6H2,1H3,(H,10,11).
What are the key properties of methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate?
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 62005676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).