(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid

C14H18N2O4 — CID 61203130

IUPAC(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NC1CCOCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c17-13(18)12(10-4-2-1-3-5-10)16-14(19)15-11-6-8-20-9-7-11/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeySANLGWSGXYECTL-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.29
Rot. Bonds4

About (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid

(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61203130) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID61203130
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NC1CCOCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c17-13(18)12(10-4-2-1-3-5-10)16-14(19)15-11-6-8-20-9-7-11/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeySANLGWSGXYECTL-GFCCVEGCSA-N
XLogP1.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61202581
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
CID 113364462
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]-2-phenylacetic acid
CID 119372344
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid (CID 61203130) is (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid is O=C(NC1CCOCC1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is SANLGWSGXYECTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)12(10-4-2-1-3-5-10)16-14(19)15-11-6-8-20-9-7-11/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid?
(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).