5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid

C11H14ClNO3 — CID 83176856

IUPAC5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
SMILESCC(CCO)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7(4-5-14)13-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyYTWNIJDEGHRRIA-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.22
Rot. Bonds5

About 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid

5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid (PubChem CID 83176856) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
PubChem CID83176856
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
SMILESCC(CCO)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7(4-5-14)13-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyYTWNIJDEGHRRIA-UHFFFAOYSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83187633
5-bromo-2-(5-hydroxypentan-2-ylamino)benzoic acid
CID 114895909
3-(2-amino-5-chloroanilino)butan-1-ol
CID 83176405
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
4-fluoro-5-(4-hydroxybutan-2-ylamino)-2-nitrobenzoic acid
CID 83177095
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 61187936
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
5-chloro-2-(5-hydroxypentylamino)benzoic acid
CID 107317969
5-chloro-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82938792
5-chloro-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61202525

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid (CID 83176856) is 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid is CC(CCO)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid?
The InChIKey is YTWNIJDEGHRRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(4-5-14)13-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13-14H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid?
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid has a molecular weight of 243.69 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid is sourced from PubChem (CID 83176856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).