3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 64890052

IUPAC3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
SMILESCC(N)(C(=O)NC1(C(=O)O)CCOC1)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-13(15,10-5-3-2-4-6-10)11(17)16-14(12(18)19)7-8-20-9-14/h2-6H,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNZMOKNATOIUMBQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.22
Rot. Bonds4

About 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid

3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 64890052) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
PubChem CID64890052
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
SMILESCC(N)(C(=O)NC1(C(=O)O)CCOC1)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-13(15,10-5-3-2-4-6-10)11(17)16-14(12(18)19)7-8-20-9-14/h2-6H,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNZMOKNATOIUMBQ-UHFFFAOYSA-N
XLogP0.22
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
4-(2-ethylanilino)oxane-4-carboxylic acid
CID 114992560
3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888814
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
4-[2-(trifluoromethyl)anilino]oxane-4-carboxylic acid
CID 78969335

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid (CID 64890052) is 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid is CC(N)(C(=O)NC1(C(=O)O)CCOC1)c1ccccc1.
What is the InChIKey of 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NZMOKNATOIUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-13(15,10-5-3-2-4-6-10)11(17)16-14(12(18)19)7-8-20-9-14/h2-6H,7-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid?
3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).