2-(1-hydroxypropylamino)benzoic acid

C10H13NO3 — CID 19907036

IUPAC2-(1-hydroxypropylamino)benzoic acid
SMILESCCC(O)Nc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-9(12)11-8-6-4-3-5-7(8)10(13)14/h3-6,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyOTSBBZKFIIEQMO-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.53
Rot. Bonds4

About 2-(1-hydroxypropylamino)benzoic acid

2-(1-hydroxypropylamino)benzoic acid (PubChem CID 19907036) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1-hydroxypropylamino)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxypropylamino)benzoic acid
PubChem CID19907036
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(1-hydroxypropylamino)benzoic acid
SMILESCCC(O)Nc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-9(12)11-8-6-4-3-5-7(8)10(13)14/h3-6,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyOTSBBZKFIIEQMO-UHFFFAOYSA-N
XLogP1.53
TPSA69.56 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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylamino)benzoic acid
CID 19609454
2-(pentan-3-ylamino)benzoic acid
CID 43139564
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086
2-[1-[methyl(phosphanyl)amino]pentan-3-ylamino]benzoic acid
CID 143542706
2-(3-hydroxypentan-3-ylamino)benzoic acid
CID 175069795
2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 62231703
2-[[2-(heptan-4-ylamino)benzoyl]amino]benzoic acid
CID 139801207
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
2-(butan-2-ylsulfonylamino)benzoic acid
CID 70482313
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropylamino)benzoic acid?
The IUPAC name of 2-(1-hydroxypropylamino)benzoic acid (CID 19907036) is 2-(1-hydroxypropylamino)benzoic acid.
What is the SMILES notation for 2-(1-hydroxypropylamino)benzoic acid?
The canonical SMILES for 2-(1-hydroxypropylamino)benzoic acid is CCC(O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(1-hydroxypropylamino)benzoic acid?
The InChIKey is OTSBBZKFIIEQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-9(12)11-8-6-4-3-5-7(8)10(13)14/h3-6,9,11-12H,2H2,1H3,(H,13,14).
What are the key properties of 2-(1-hydroxypropylamino)benzoic acid?
2-(1-hydroxypropylamino)benzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropylamino)benzoic acid is sourced from PubChem (CID 19907036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).