2-amino-3-(3-hydroxypropyl)benzoic acid

C10H13NO3 — CID 121470801

IUPAC2-amino-3-(3-hydroxypropyl)benzoic acid
SMILESNc1c(CCCO)cccc1C(=O)O
InChIInChI=1S/C10H13NO3/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,12H,2,4,6,11H2,(H,13,14)
InChIKeyVFQMKTXMRNNRPP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-3-(3-hydroxypropyl)benzoic acid

2-amino-3-(3-hydroxypropyl)benzoic acid (PubChem CID 121470801) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxypropyl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(3-hydroxypropyl)benzoic acid
PubChem CID121470801
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-(3-hydroxypropyl)benzoic acid
SMILESNc1c(CCCO)cccc1C(=O)O
InChIInChI=1S/C10H13NO3/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,12H,2,4,6,11H2,(H,13,14)
InChIKeyVFQMKTXMRNNRPP-UHFFFAOYSA-N
XLogP0.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-decylbenzoic acid
CID 118902812
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
2-amino-3-[2-(2-nitrophenyl)ethyl]benzoic acid
CID 107367819
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
4-(2,3-diaminophenyl)butan-1-ol
CID 67906249
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
2-amino-3-hexylbenzoic acid;hexyl 2-aminobenzoate
CID 175761932
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19913521
2-amino-3-[(2,4-dibromophenyl)methyl]benzoic acid
CID 19612076
3-butyl-2-carbamoylbenzoic acid
CID 20544630

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxypropyl)benzoic acid?
The IUPAC name of 2-amino-3-(3-hydroxypropyl)benzoic acid (CID 121470801) is 2-amino-3-(3-hydroxypropyl)benzoic acid.
What is the SMILES notation for 2-amino-3-(3-hydroxypropyl)benzoic acid?
The canonical SMILES for 2-amino-3-(3-hydroxypropyl)benzoic acid is Nc1c(CCCO)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(3-hydroxypropyl)benzoic acid?
The InChIKey is VFQMKTXMRNNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,12H,2,4,6,11H2,(H,13,14).
What are the key properties of 2-amino-3-(3-hydroxypropyl)benzoic acid?
2-amino-3-(3-hydroxypropyl)benzoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxypropyl)benzoic acid is sourced from PubChem (CID 121470801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).