(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid

C15H19N3O5 — CID 119367206

IUPAC(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-10(19)16-8-13(20)17-9-14(21)18-12(15(22)23)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t12-/m1/s1
InChIKeyJEASNJFOWZGOGI-GFCCVEGCSA-N
MW321.33 g/mol
LogP-0.95
Rot. Bonds8

About (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid

(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 119367206) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
PubChem CID119367206
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-10(19)16-8-13(20)17-9-14(21)18-12(15(22)23)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t12-/m1/s1
InChIKeyJEASNJFOWZGOGI-GFCCVEGCSA-N
XLogP-0.95
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid 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-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 167243280
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18235515
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
sodium (2S,3R)-3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-2-hydroxy-4-phenylbutanoate
CID 23691682
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 145458652
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid (CID 119367206) is (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid is CC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is JEASNJFOWZGOGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10(19)16-8-13(20)17-9-14(21)18-12(15(22)23)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 321.33 g/mol, XLogP of -0.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).