methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate

C15H18N2O4 — CID 84579845

IUPACmethyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)12-7-8-17(10-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,19)
InChIKeyDEXQSYWHMAKCBO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.44
Rot. Bonds4

About methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate

methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate (PubChem CID 84579845) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
PubChem CID84579845
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)12-7-8-17(10-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,19)
InChIKeyDEXQSYWHMAKCBO-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(3S)-1-(2-benzamidoacetyl)piperidine-3-carbonyl]piperidin-4-yl]acetate
CID 95860362
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate (CID 84579845) is methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate?
The InChIKey is DEXQSYWHMAKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-15(20)12-7-8-17(10-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,19).
What are the key properties of methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate?
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 84579845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).