2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid

C14H15N3O4 — CID 107440765

IUPAC2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O4/c15-12(18)7-17(8-13(19)20)6-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,18)(H,19,20)
InChIKeyBCUXZMHRBRYEMT-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.71
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid (PubChem CID 107440765) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
PubChem CID107440765
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O4/c15-12(18)7-17(8-13(19)20)6-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,18)(H,19,20)
InChIKeyBCUXZMHRBRYEMT-UHFFFAOYSA-N
XLogP0.71
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic 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

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270207
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
CID 79269730
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79272513
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461356
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
2-[ethyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 17465917
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetic acid
CID 119198322
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid (CID 107440765) is 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The InChIKey is BCUXZMHRBRYEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c15-12(18)7-17(8-13(19)20)6-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107440765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).