4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid

C11H12ClNO3 — CID 14403895

IUPAC4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
SMILESNc1cc(OCC2CC2)c(C(=O)O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-8-3-7(11(14)15)10(4-9(8)13)16-5-6-1-2-6/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyKLPBRQIQIHTCRI-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.41
Rot. Bonds4

About 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid

4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid (PubChem CID 14403895) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
PubChem CID14403895
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
SMILESNc1cc(OCC2CC2)c(C(=O)O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-8-3-7(11(14)15)10(4-9(8)13)16-5-6-1-2-6/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyKLPBRQIQIHTCRI-UHFFFAOYSA-N
XLogP2.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[1-[(4-hydroxy-1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]benzamide
CID 163864112
5-chloro-4-iodo-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 172648588
2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid
CID 67894642
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid?
The IUPAC name of 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid (CID 14403895) is 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid.
What is the SMILES notation for 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid?
The canonical SMILES for 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid is Nc1cc(OCC2CC2)c(C(=O)O)cc1Cl.
What is the InChIKey of 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid?
The InChIKey is KLPBRQIQIHTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-8-3-7(11(14)15)10(4-9(8)13)16-5-6-1-2-6/h3-4,6H,1-2,5,13H2,(H,14,15).
What are the key properties of 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid?
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid is sourced from PubChem (CID 14403895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).