4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid

C10H12FNO2 — CID 90925174

IUPAC4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
SMILESC[C@@H](N)Cc1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyQUBRHSKHOWCARB-ZCFIWIBFSA-N
MW197.21 g/mol
LogP1.41
Rot. Bonds3

About 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid

4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid (PubChem CID 90925174) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
PubChem CID90925174
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
SMILESC[C@@H](N)Cc1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyQUBRHSKHOWCARB-ZCFIWIBFSA-N
XLogP1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
3-fluoro-4-(2-methyl-3-oxopropyl)benzoic acid
CID 91884220
4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
CID 130607749
4-(2-aminoethyl)-3-fluorobenzoic acid
CID 68728467
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
4-(chloromethyl)-3-fluorobenzoic acid
CID 91883061
4-fluoro-3-(2-methylpropyl)benzoic acid
CID 107957211
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
3-fluoro-4-[[methyl(3-methylbutyl)amino]methyl]benzoic acid
CID 63074035
3-[(1R)-1-aminoethyl]-4-ethylbenzoic acid
CID 55295793
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid (CID 90925174) is 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid is C[C@@H](N)Cc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid?
The InChIKey is QUBRHSKHOWCARB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid?
4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid is sourced from PubChem (CID 90925174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).