2-(1-amino-2-hydroxypropyl)benzoic acid

C10H13NO3 — CID 55269220

IUPAC2-(1-amino-2-hydroxypropyl)benzoic acid
SMILESCC(O)C(N)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(12)9(11)7-4-2-3-5-8(7)10(13)14/h2-6,9,12H,11H2,1H3,(H,13,14)
InChIKeyPQFAWWUXZGHWNJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.77
Rot. Bonds3

About 2-(1-amino-2-hydroxypropyl)benzoic acid

2-(1-amino-2-hydroxypropyl)benzoic acid (PubChem CID 55269220) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)benzoic acid.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)benzoic acid
PubChem CID55269220
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(1-amino-2-hydroxypropyl)benzoic acid
SMILESCC(O)C(N)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(12)9(11)7-4-2-3-5-8(7)10(13)14/h2-6,9,12H,11H2,1H3,(H,13,14)
InChIKeyPQFAWWUXZGHWNJ-UHFFFAOYSA-N
XLogP0.77
TPSA83.55 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 ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
2-[hydroxy(methoxy)methyl]benzoic acid
CID 90208008
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
CID 61023494
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[(1S)-1,3-diaminopropyl]benzoic acid
CID 171220788
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 67299553
2-[(1S)-1-amino-3-methylbut-3-enyl]benzoic acid
CID 171220824
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)benzoic acid?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)benzoic acid (CID 55269220) is 2-(1-amino-2-hydroxypropyl)benzoic acid.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)benzoic acid?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)benzoic acid is CC(O)C(N)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)benzoic acid?
The InChIKey is PQFAWWUXZGHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(12)9(11)7-4-2-3-5-8(7)10(13)14/h2-6,9,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-(1-amino-2-hydroxypropyl)benzoic acid?
2-(1-amino-2-hydroxypropyl)benzoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)benzoic acid is sourced from PubChem (CID 55269220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).