2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid

C10H12ClNO2 — CID 131123294

IUPAC2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
SMILESC[C@@H](N)Cc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(12)5-7-3-2-4-8(11)9(7)10(13)14/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyXENHNOBZZGFHJK-ZCFIWIBFSA-N
MW213.66 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid

2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid (PubChem CID 131123294) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
PubChem CID131123294
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
SMILESC[C@@H](N)Cc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(12)5-7-3-2-4-8(11)9(7)10(13)14/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyXENHNOBZZGFHJK-ZCFIWIBFSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2-oxobutyl)benzoic acid
CID 123235479
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
CID 11251659
CID 11251659
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
CID 115958284
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid?
The IUPAC name of 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid (CID 131123294) is 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid is C[C@@H](N)Cc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid?
The InChIKey is XENHNOBZZGFHJK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(12)5-7-3-2-4-8(11)9(7)10(13)14/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid?
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid is sourced from PubChem (CID 131123294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).