(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide

C14H19N3O4 — CID 146261685

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide
SMILESC=C[C@@H](O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN
InChIInChI=1S/C14H19N3O4/c1-2-12(19)17-14(21)11(16-13(20)8-15)7-9-3-5-10(18)6-4-9/h2-6,11-12,18-19H,1,7-8,15H2,(H,16,20)(H,17,21)/t11-,12+/m0/s1
InChIKeyCAIUBLYDQHFMEB-NWDGAFQWSA-N
MW293.32 g/mol
LogP-1.00
Rot. Bonds7

About (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide

(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide (PubChem CID 146261685) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide
PubChem CID146261685
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide
SMILESC=C[C@@H](O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN
InChIInChI=1S/C14H19N3O4/c1-2-12(19)17-14(21)11(16-13(20)8-15)7-9-3-5-10(18)6-4-9/h2-6,11-12,18-19H,1,7-8,15H2,(H,16,20)(H,17,21)/t11-,12+/m0/s1
InChIKeyCAIUBLYDQHFMEB-NWDGAFQWSA-N
XLogP-1.00
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 71379810
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 19751610
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 18492200
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18220980
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
CID 18490210
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18492229
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 23422440
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 18490217
2-[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]butanedioic acid
CID 18491837
2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18489915
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 134824914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide (CID 146261685) is (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide is C=C[C@@H](O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide?
The InChIKey is CAIUBLYDQHFMEB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-12(19)17-14(21)11(16-13(20)8-15)7-9-3-5-10(18)6-4-9/h2-6,11-12,18-19H,1,7-8,15H2,(H,16,20)(H,17,21)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide?
(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide has a molecular weight of 293.32 g/mol, XLogP of -1.00, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide is sourced from PubChem (CID 146261685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).