2-(3-hydroxy-4-methylanilino)propanoic acid

C10H13NO3 — CID 107700440

IUPAC2-(3-hydroxy-4-methylanilino)propanoic acid
SMILESCc1ccc(NC(C)C(=O)O)cc1O
InChIInChI=1S/C10H13NO3/c1-6-3-4-8(5-9(6)12)11-7(2)10(13)14/h3-5,7,11-12H,1-2H3,(H,13,14)
InChIKeyQYWUWTGSUQYLQT-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.59
Rot. Bonds3

About 2-(3-hydroxy-4-methylanilino)propanoic acid

2-(3-hydroxy-4-methylanilino)propanoic acid (PubChem CID 107700440) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylanilino)propanoic acid
PubChem CID107700440
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(3-hydroxy-4-methylanilino)propanoic acid
SMILESCc1ccc(NC(C)C(=O)O)cc1O
InChIInChI=1S/C10H13NO3/c1-6-3-4-8(5-9(6)12)11-7(2)10(13)14/h3-5,7,11-12H,1-2H3,(H,13,14)
InChIKeyQYWUWTGSUQYLQT-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
CID 107700569
2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
CID 107699855
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
(2S)-2-(4-sulfoanilino)propanoic acid
CID 87320516
2-anilinopropanoic acid;hydrochloride
CID 19096756
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
2-(3-aminoanilino)propanoic acid
CID 23338715
2-[(8-hydroxy-6-sulfonaphthalen-2-yl)amino]propanoic acid
CID 23367264

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylanilino)propanoic acid?
The IUPAC name of 2-(3-hydroxy-4-methylanilino)propanoic acid (CID 107700440) is 2-(3-hydroxy-4-methylanilino)propanoic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylanilino)propanoic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylanilino)propanoic acid is Cc1ccc(NC(C)C(=O)O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylanilino)propanoic acid?
The InChIKey is QYWUWTGSUQYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-3-4-8(5-9(6)12)11-7(2)10(13)14/h3-5,7,11-12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-hydroxy-4-methylanilino)propanoic acid?
2-(3-hydroxy-4-methylanilino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylanilino)propanoic acid is sourced from PubChem (CID 107700440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).