methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate

C14H18N2O3 — CID 55024475

IUPACmethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)13(10-5-3-2-4-6-10)15-9-12(17)16-11-7-8-11/h2-6,11,13,15H,7-9H2,1H3,(H,16,17)
InChIKeyMQAZCQBSSVGDTM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds6

About methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate

methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate (PubChem CID 55024475) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate
PubChem CID55024475
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)13(10-5-3-2-4-6-10)15-9-12(17)16-11-7-8-11/h2-6,11,13,15H,7-9H2,1H3,(H,16,17)
InChIKeyMQAZCQBSSVGDTM-UHFFFAOYSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate (CID 55024475) is methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate is COC(=O)C(NCC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate?
The InChIKey is MQAZCQBSSVGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-14(18)13(10-5-3-2-4-6-10)15-9-12(17)16-11-7-8-11/h2-6,11,13,15H,7-9H2,1H3,(H,16,17).
What are the key properties of methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate?
methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate has a molecular weight of 262.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate is sourced from PubChem (CID 55024475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).