2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid

C14H17NO4 — CID 103247940

IUPAC2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
SMILESCOC(=O)C(NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-14(18)12(9-5-3-2-4-6-9)15-11(13(16)17)10-7-8-10/h2-6,10-12,15H,7-8H2,1H3,(H,16,17)
InChIKeyLIYUFXHFONSTHJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.35
Rot. Bonds6

About 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid

2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid (PubChem CID 103247940) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
PubChem CID103247940
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
SMILESCOC(=O)C(NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-14(18)12(9-5-3-2-4-6-9)15-11(13(16)17)10-7-8-10/h2-6,10-12,15H,7-8H2,1H3,(H,16,17)
InChIKeyLIYUFXHFONSTHJ-UHFFFAOYSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid (CID 103247940) is 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid is COC(=O)C(NC(C(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid?
The InChIKey is LIYUFXHFONSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-14(18)12(9-5-3-2-4-6-9)15-11(13(16)17)10-7-8-10/h2-6,10-12,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid?
2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 103247940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).