3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid

C16H20N2O5 — CID 175201539

IUPAC3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)O)C1
InChIInChI=1S/C16H20N2O5/c1-17(14(19)12-8-9-18(10-12)16(21)22)13(15(20)23-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,21,22)/t12?,13-/m1/s1
InChIKeyBRPQIUNDJCVJDZ-ZGTCLIOFSA-N
MW320.34 g/mol
LogP1.36
Rot. Bonds4

About 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid

3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 175201539) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID175201539
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)O)C1
InChIInChI=1S/C16H20N2O5/c1-17(14(19)12-8-9-18(10-12)16(21)22)13(15(20)23-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,21,22)/t12?,13-/m1/s1
InChIKeyBRPQIUNDJCVJDZ-ZGTCLIOFSA-N
XLogP1.36
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
CID 22877802
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
methyl (2S)-3-methyl-2-[methyl-[1-[(2R)-1-tritylazetidine-2-carbonyl]azetidine-3-carbonyl]amino]butanoate
CID 175303960
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid (CID 175201539) is 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid is COC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)O)C1.
What is the InChIKey of 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is BRPQIUNDJCVJDZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-17(14(19)12-8-9-18(10-12)16(21)22)13(15(20)23-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,21,22)/t12?,13-/m1/s1.
What are the key properties of 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid?
3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 320.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175201539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).