(2R)-2-(benzylamino)propanoic acid

C10H13NO2 — CID 723761

IUPAC(2R)-2-(benzylamino)propanoic acid
SMILESC[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRLIHXKPTGKETCC-MRVPVSSYSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds4

About (2R)-2-(benzylamino)propanoic acid

(2R)-2-(benzylamino)propanoic acid (PubChem CID 723761) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-(benzylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)propanoic acid
PubChem CID723761
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-(benzylamino)propanoic acid
SMILESC[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRLIHXKPTGKETCC-MRVPVSSYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)propanoic acid?
The IUPAC name of (2R)-2-(benzylamino)propanoic acid (CID 723761) is (2R)-2-(benzylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(benzylamino)propanoic acid?
The canonical SMILES for (2R)-2-(benzylamino)propanoic acid is C[C@@H](NCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(benzylamino)propanoic acid?
The InChIKey is RLIHXKPTGKETCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)propanoic acid?
(2R)-2-(benzylamino)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)propanoic acid is sourced from PubChem (CID 723761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).