methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate

C14H18N2O3 — CID 79161746

IUPACmethyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)12(11-7-3-2-4-8-11)15-14(18)16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyFRDDWORGTHYWSP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate

methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate (PubChem CID 79161746) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
PubChem CID79161746
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)12(11-7-3-2-4-8-11)15-14(18)16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyFRDDWORGTHYWSP-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl (2S)-2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]-2-phenylacetate
CID 171153870
methyl (2R)-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]-2-phenylacetate
CID 98470262
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate (CID 79161746) is methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate is COC(=O)C(NC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate?
The InChIKey is FRDDWORGTHYWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-13(17)12(11-7-3-2-4-8-11)15-14(18)16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18).
What are the key properties of methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate?
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate has a molecular weight of 262.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate is sourced from PubChem (CID 79161746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).