2-[(2R)-2-aminopropyl]benzoic acid

C10H13NO2 — CID 20581914

IUPAC2-[(2R)-2-aminopropyl]benzoic acid
SMILESC[C@@H](N)Cc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(11)6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyGURPUCJRJDWTBI-SSDOTTSWSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds3

About 2-[(2R)-2-aminopropyl]benzoic acid

2-[(2R)-2-aminopropyl]benzoic acid (PubChem CID 20581914) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]benzoic acid.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]benzoic acid
PubChem CID20581914
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[(2R)-2-aminopropyl]benzoic acid
SMILESC[C@@H](N)Cc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(11)6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyGURPUCJRJDWTBI-SSDOTTSWSA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
2-[(2S)-2-(carboxyamino)propyl]benzoic acid
CID 69006409
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321
2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
CID 175054462
2-ethylbenzoic acid;tungsten
CID 23518478
2-(2-carboxy-2-phenylethyl)benzoic acid
CID 67665092
2-[(1-hydroxypropan-2-ylamino)methyl]benzoic acid
CID 103238312
2-aminobenzoic acid;3-aminobutanamide
CID 175052233
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
CID 131123294
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]benzoic acid?
The IUPAC name of 2-[(2R)-2-aminopropyl]benzoic acid (CID 20581914) is 2-[(2R)-2-aminopropyl]benzoic acid.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]benzoic acid?
The canonical SMILES for 2-[(2R)-2-aminopropyl]benzoic acid is C[C@@H](N)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2R)-2-aminopropyl]benzoic acid?
The InChIKey is GURPUCJRJDWTBI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11)6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]benzoic acid?
2-[(2R)-2-aminopropyl]benzoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.27, 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]benzoic acid is sourced from PubChem (CID 20581914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).