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

C13H14N2O3 — CID 62006992

IUPACmethyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O3/c1-18-13(17)11(8-16)15-12-7-6-9-4-2-3-5-10(9)14-12/h2-7,11,16H,8H2,1H3,(H,14,15)
InChIKeyLVSSCJCWPFFWKR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.18
Rot. Bonds4

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

methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate (PubChem CID 62006992) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
PubChem CID62006992
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O3/c1-18-13(17)11(8-16)15-12-7-6-9-4-2-3-5-10(9)14-12/h2-7,11,16H,8H2,1H3,(H,14,15)
InChIKeyLVSSCJCWPFFWKR-UHFFFAOYSA-N
XLogP1.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
2-amino-N-quinolin-2-ylacetamide
CID 54505370
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate (CID 62006992) is methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate is COC(=O)C(CO)Nc1ccc2ccccc2n1.
What is the InChIKey of methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate?
The InChIKey is LVSSCJCWPFFWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-13(17)11(8-16)15-12-7-6-9-4-2-3-5-10(9)14-12/h2-7,11,16H,8H2,1H3,(H,14,15).
What are the key properties of methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate?
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate has a molecular weight of 246.27 g/mol, XLogP of 1.18, 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-(quinolin-2-ylamino)propanoate is sourced from PubChem (CID 62006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).