(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide

C11H14N2O3 — CID 735956

IUPAC(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1
InChIKeyRJNKBEQRBIJDNM-JTQLQIEISA-N
MW222.24 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide

(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide (PubChem CID 735956) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide
PubChem CID735956
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1
InChIKeyRJNKBEQRBIJDNM-JTQLQIEISA-N
XLogP-0.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide (CID 735956) is (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide is CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RJNKBEQRBIJDNM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide?
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide has a molecular weight of 222.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 735956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).