(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C16H18N2O4 — CID 119366892

IUPAC(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)on1
InChIInChI=1S/C16H18N2O4/c1-10(2)12-9-14(22-18-12)15(19)17-13(16(20)21)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21)/t13-/m1/s1
InChIKeySKEBRLIOYMENFV-CYBMUJFWSA-N
MW302.33 g/mol
LogP2.22
Rot. Bonds6

About (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119366892) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119366892
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)on1
InChIInChI=1S/C16H18N2O4/c1-10(2)12-9-14(22-18-12)15(19)17-13(16(20)21)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21)/t13-/m1/s1
InChIKeySKEBRLIOYMENFV-CYBMUJFWSA-N
XLogP2.22
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
methyl (2S)-2-[(3-benzyl-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate
CID 42164387
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
CID 132649521
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
(2R)-2-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119366856
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119366892) is (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)on1.
What is the InChIKey of (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is SKEBRLIOYMENFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(2)12-9-14(22-18-12)15(19)17-13(16(20)21)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119366892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).