1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid

C16H19NO3 — CID 174733531

IUPAC1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
SMILESCNC(CO)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H9NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3(2-6)4(7)8/h1-10H;3,5-6H,2H2,1H3,(H,7,8)
InChIKeyDHVOPTLYCFXKTM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.00
Rot. Bonds4

About 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid

1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid (PubChem CID 174733531) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
PubChem CID174733531
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
SMILESCNC(CO)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H9NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3(2-6)4(7)8/h1-10H;3,5-6H,2H2,1H3,(H,7,8)
InChIKeyDHVOPTLYCFXKTM-UHFFFAOYSA-N
XLogP2.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-hydroxy-2-methylpropanoic acid
CID 175519098
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-3-hydroxy-2-(phenylsulfanylamino)propanoic acid
CID 87691246
(3R)-4-hydroxy-3-(methylamino)butan-2-one;methane;prop-1-enylbenzene
CID 158715698
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid?
The IUPAC name of 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid (CID 174733531) is 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid.
What is the SMILES notation for 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid?
The canonical SMILES for 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid is CNC(CO)C(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid?
The InChIKey is DHVOPTLYCFXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H9NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3(2-6)4(7)8/h1-10H;3,5-6H,2H2,1H3,(H,7,8).
What are the key properties of 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid?
1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 174733531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).