(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid

C13H16N2O4 — CID 113364462

IUPAC(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NC1CCOC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O4/c16-12(17)11(9-4-2-1-3-5-9)15-13(18)14-10-6-7-19-8-10/h1-5,10-11H,6-8H2,(H,16,17)(H2,14,15,18)/t10?,11-/m0/s1
InChIKeyOFGSGYFWHJJOPU-DTIOYNMSSA-N
MW264.28 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid

(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 113364462) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID113364462
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NC1CCOC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O4/c16-12(17)11(9-4-2-1-3-5-9)15-13(18)14-10-6-7-19-8-10/h1-5,10-11H,6-8H2,(H,16,17)(H2,14,15,18)/t10?,11-/m0/s1
InChIKeyOFGSGYFWHJJOPU-DTIOYNMSSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61203130
2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61202581
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
(2R)-2-amino-N-(oxolan-3-yl)-2-phenylacetamide
CID 80713127
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid (CID 113364462) is (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid is O=C(NC1CCOC1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is OFGSGYFWHJJOPU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)11(9-4-2-1-3-5-9)15-13(18)14-10-6-7-19-8-10/h1-5,10-11H,6-8H2,(H,16,17)(H2,14,15,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid?
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 113364462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).