4-(1-aminocyclopropyl)-3-chlorobenzoic acid

C10H10ClNO2 — CID 84781989

IUPAC4-(1-aminocyclopropyl)-3-chlorobenzoic acid
SMILESNC1(c2ccc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyCMOJDXOTGWUAJX-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.99
Rot. Bonds2

About 4-(1-aminocyclopropyl)-3-chlorobenzoic acid

4-(1-aminocyclopropyl)-3-chlorobenzoic acid (PubChem CID 84781989) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-chlorobenzoic acid
PubChem CID84781989
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(1-aminocyclopropyl)-3-chlorobenzoic acid
SMILESNC1(c2ccc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyCMOJDXOTGWUAJX-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminocyclopropyl)-3-bromobenzoic acid
CID 84805106
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
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3-chloro-4-iodobenzoic acid
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4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid
CID 90951225
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
3-chloro-4-(4,4-difluorocyclohexyl)benzoic acid
CID 162444943
3-chloro-4-(3,3-dimethylazetidin-1-yl)benzoic acid
CID 79694163
3-chloro-4-(2,5-dihydropyrrol-1-yl)benzoic acid
CID 64683147
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
CID 117356588
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-chlorobenzoic acid?
The IUPAC name of 4-(1-aminocyclopropyl)-3-chlorobenzoic acid (CID 84781989) is 4-(1-aminocyclopropyl)-3-chlorobenzoic acid.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-chlorobenzoic acid?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-chlorobenzoic acid is NC1(c2ccc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-chlorobenzoic acid?
The InChIKey is CMOJDXOTGWUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14).
What are the key properties of 4-(1-aminocyclopropyl)-3-chlorobenzoic acid?
4-(1-aminocyclopropyl)-3-chlorobenzoic acid has a molecular weight of 211.65 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-3-chlorobenzoic acid is sourced from PubChem (CID 84781989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).