2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid

C14H18N2O4 — CID 66267213

IUPAC2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
SMILESCNC1COCC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-11-8-20-7-10(11)13(17)16-12(14(18)19)9-5-3-2-4-6-9/h2-6,10-12,15H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRFUFBJJYIFEVCI-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.16
Rot. Bonds5

About 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid

2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 66267213) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID66267213
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
SMILESCNC1COCC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-11-8-20-7-10(11)13(17)16-12(14(18)19)9-5-3-2-4-6-9/h2-6,10-12,15H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRFUFBJJYIFEVCI-UHFFFAOYSA-N
XLogP0.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 107860965
3,3-dimethyl-2-[[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66266624
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265788
4-(methylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 66265401
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561275
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
CID 66264849
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288710

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid (CID 66267213) is 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid is CNC1COCC1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is RFUFBJJYIFEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-11-8-20-7-10(11)13(17)16-12(14(18)19)9-5-3-2-4-6-9/h2-6,10-12,15H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid?
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 66267213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).