(2S)-2-benzamidopropanoic acid

C10H11NO3 — CID 709778

IUPAC(2S)-2-benzamidopropanoic acid
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyUAQVHNZEONHPQG-ZETCQYMHSA-N
MW193.20 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-benzamidopropanoic acid

(2S)-2-benzamidopropanoic acid (PubChem CID 709778) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S)-2-benzamidopropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamidopropanoic acid
PubChem CID709778
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2S)-2-benzamidopropanoic acid
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyUAQVHNZEONHPQG-ZETCQYMHSA-N
XLogP0.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamidopropanoic acid?
The IUPAC name of (2S)-2-benzamidopropanoic acid (CID 709778) is (2S)-2-benzamidopropanoic acid.
What is the SMILES notation for (2S)-2-benzamidopropanoic acid?
The canonical SMILES for (2S)-2-benzamidopropanoic acid is C[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-benzamidopropanoic acid?
The InChIKey is UAQVHNZEONHPQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-benzamidopropanoic acid?
(2S)-2-benzamidopropanoic acid has a molecular weight of 193.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamidopropanoic acid is sourced from PubChem (CID 709778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).