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

C11H15NO2 — CID 91048329

IUPAC4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1C[C@@H](C)N
InChIInChI=1S/C11H15NO2/c1-7-5-10(11(13)14)4-3-9(7)6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUTQCKHVZJYLPSF-MRVPVSSYSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds3

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

4-[(2R)-2-aminopropyl]-3-methylbenzoic acid (PubChem CID 91048329) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
PubChem CID91048329
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1C[C@@H](C)N
InChIInChI=1S/C11H15NO2/c1-7-5-10(11(13)14)4-3-9(7)6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUTQCKHVZJYLPSF-MRVPVSSYSA-N
XLogP1.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-2,3-dimethylbutyl]-3-methylbenzoic acid
CID 163975260
4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
CID 90925174
4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
CID 130607749
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
4-(fluoromethyl)-3-methylbenzoic acid
CID 91883690
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
3-methyl-4-(methylaminomethyl)benzoic acid
CID 117219353
3-methyl-4-(2,2,2-trifluoroethyl)benzoic acid
CID 91883693
4-(butan-2-yloxymethyl)-3-methylbenzoic acid
CID 114485753
3-[(1R)-1-aminoethyl]-4-ethylbenzoic acid
CID 55295793
CID 162253239
CID 162253239

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid?
The IUPAC name of 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid (CID 91048329) is 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1C[C@@H](C)N.
What is the InChIKey of 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid?
The InChIKey is UTQCKHVZJYLPSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)4-3-9(7)6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 4-[(2R)-2-aminopropyl]-3-methylbenzoic acid?
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.58, 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-methylbenzoic acid is sourced from PubChem (CID 91048329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).