2-amino-3-hydroxy-4-propylbenzoic acid

C10H13NO3 — CID 12532264

IUPAC2-amino-3-hydroxy-4-propylbenzoic acid
SMILESCCCc1ccc(C(=O)O)c(N)c1O
InChIInChI=1S/C10H13NO3/c1-2-3-6-4-5-7(10(13)14)8(11)9(6)12/h4-5,12H,2-3,11H2,1H3,(H,13,14)
InChIKeyBNGGOYPTJCLMGB-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-3-hydroxy-4-propylbenzoic acid

2-amino-3-hydroxy-4-propylbenzoic acid (PubChem CID 12532264) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-propylbenzoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-propylbenzoic acid
PubChem CID12532264
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-hydroxy-4-propylbenzoic acid
SMILESCCCc1ccc(C(=O)O)c(N)c1O
InChIInChI=1S/C10H13NO3/c1-2-3-6-4-5-7(10(13)14)8(11)9(6)12/h4-5,12H,2-3,11H2,1H3,(H,13,14)
InChIKeyBNGGOYPTJCLMGB-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,6-dipropylphenol
CID 134347282
2-hydroxy-4-propyl-3-sulfobenzoic acid
CID 151933574
butan-1-amine;2,3-diamino-4-butylbenzoic acid
CID 70385290
5-hydroxy-2-propylbenzoic acid
CID 23105136
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
4-dodecyl-2,3-dihydroxybenzoic acid
CID 21475788
2,5-dipropylbenzoic acid
CID 139904729
2,3-diamino-4-[3-(propylamino)butyl]benzoic acid
CID 70385919
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
2-amino-3-decylbenzoic acid
CID 118902812
2,3-diamino-4-[2-[butan-2-yl(methyl)amino]ethyl]benzoic acid
CID 54430815
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-propylbenzoic acid?
The IUPAC name of 2-amino-3-hydroxy-4-propylbenzoic acid (CID 12532264) is 2-amino-3-hydroxy-4-propylbenzoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-4-propylbenzoic acid?
The canonical SMILES for 2-amino-3-hydroxy-4-propylbenzoic acid is CCCc1ccc(C(=O)O)c(N)c1O.
What is the InChIKey of 2-amino-3-hydroxy-4-propylbenzoic acid?
The InChIKey is BNGGOYPTJCLMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-6-4-5-7(10(13)14)8(11)9(6)12/h4-5,12H,2-3,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-hydroxy-4-propylbenzoic acid?
2-amino-3-hydroxy-4-propylbenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-propylbenzoic acid is sourced from PubChem (CID 12532264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).