(2S)-2-(N-acetylanilino)propanoic acid

C11H13NO3 — CID 821173

IUPAC(2S)-2-(N-acetylanilino)propanoic acid
SMILESCC(=O)N(c1ccccc1)[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyOGRDVTGIBRIYAG-QMMMGPOBSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-(N-acetylanilino)propanoic acid

(2S)-2-(N-acetylanilino)propanoic acid (PubChem CID 821173) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-2-(N-acetylanilino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(N-acetylanilino)propanoic acid
PubChem CID821173
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2S)-2-(N-acetylanilino)propanoic acid
SMILESCC(=O)N(c1ccccc1)[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyOGRDVTGIBRIYAG-QMMMGPOBSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dioxopentan-2-yl)-N-phenylacetamide
CID 15339252
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121
(2S)-2-(N-(2,2-dichloroacetyl)anilino)propanoic acid;hydrochloride
CID 70542986
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
S-prop-2-enyl 2-(N-acetylanilino)propanethioate
CID 88698684
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
(2S)-2-(N-methoxyanilino)propanoic acid
CID 54118972
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
(2S)-2-(N-sulfoanilino)propanoic acid
CID 69100244
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-(N-phosphonoanilino)propanoic acid
CID 138544038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-acetylanilino)propanoic acid?
The IUPAC name of (2S)-2-(N-acetylanilino)propanoic acid (CID 821173) is (2S)-2-(N-acetylanilino)propanoic acid.
What is the SMILES notation for (2S)-2-(N-acetylanilino)propanoic acid?
The canonical SMILES for (2S)-2-(N-acetylanilino)propanoic acid is CC(=O)N(c1ccccc1)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(N-acetylanilino)propanoic acid?
The InChIKey is OGRDVTGIBRIYAG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(N-acetylanilino)propanoic acid?
(2S)-2-(N-acetylanilino)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-acetylanilino)propanoic acid is sourced from PubChem (CID 821173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).