(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid

C15H20N2O4 — CID 82729817

IUPAC(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC1OCCC1N(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-10-12(8-9-21-10)17(2)15(20)16-13(14(18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,12?,13-/m1/s1
InChIKeyHGGOLSKZJFWIED-KGPNIALWSA-N
MW292.33 g/mol
LogP1.63
Rot. Bonds4

About (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid

(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 82729817) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID82729817
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC1OCCC1N(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-10-12(8-9-21-10)17(2)15(20)16-13(14(18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,12?,13-/m1/s1
InChIKeyHGGOLSKZJFWIED-KGPNIALWSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 82730247
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
CID 82730588
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 82747860
2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444873
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid (CID 82729817) is (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid is CC1OCCC1N(C)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is HGGOLSKZJFWIED-KGPNIALWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-12(8-9-21-10)17(2)15(20)16-13(14(18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid?
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 82729817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).