1-hydroxypropyl 2-aminobenzoate

C10H13NO3 — CID 22287850

IUPAC1-hydroxypropyl 2-aminobenzoate
SMILESCCC(O)OC(=O)c1ccccc1N
InChIInChI=1S/C10H13NO3/c1-2-9(12)14-10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2,11H2,1H3
InChIKeyVLPXXYHVZXPNQM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.15
Rot. Bonds3

About 1-hydroxypropyl 2-aminobenzoate

1-hydroxypropyl 2-aminobenzoate (PubChem CID 22287850) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-hydroxypropyl 2-aminobenzoate.

Molecular Properties

Compound Name1-hydroxypropyl 2-aminobenzoate
PubChem CID22287850
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-hydroxypropyl 2-aminobenzoate
SMILESCCC(O)OC(=O)c1ccccc1N
InChIInChI=1S/C10H13NO3/c1-2-9(12)14-10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2,11H2,1H3
InChIKeyVLPXXYHVZXPNQM-UHFFFAOYSA-N
XLogP1.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(diethylamino)ethyl 2-aminobenzoate
CID 174645415
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
1-hydroxypropyl 2-(ethylamino)benzoate
CID 174360689
3-hydroxypentyl 2-aminobenzoate
CID 141469821
octan-3-yl 2-aminobenzoate
CID 135329802
1,3-dihydroxypropan-2-yl 2-aminobenzoate
CID 67638206
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
1-cyanopropyl 3-amino-2-chlorobenzoate
CID 112580414
1-hydroxypropyl propanoate;phthalic acid
CID 174837889
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
methylsulfanylmethyl 2-aminobenzoate
CID 67665029
2,2-difluoroethyl 2-aminobenzoate
CID 61321077

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl 2-aminobenzoate?
The IUPAC name of 1-hydroxypropyl 2-aminobenzoate (CID 22287850) is 1-hydroxypropyl 2-aminobenzoate.
What is the SMILES notation for 1-hydroxypropyl 2-aminobenzoate?
The canonical SMILES for 1-hydroxypropyl 2-aminobenzoate is CCC(O)OC(=O)c1ccccc1N.
What is the InChIKey of 1-hydroxypropyl 2-aminobenzoate?
The InChIKey is VLPXXYHVZXPNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-9(12)14-10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2,11H2,1H3.
What are the key properties of 1-hydroxypropyl 2-aminobenzoate?
1-hydroxypropyl 2-aminobenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl 2-aminobenzoate is sourced from PubChem (CID 22287850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).