(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

C15H17NO4 — CID 68862416

IUPAC(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC=C1CN(C(=O)OCc2ccccc2)C[C@]1(C)C(=O)O
InChIInChI=1S/C15H17NO4/c1-11-8-16(10-15(11,2)13(17)18)14(19)20-9-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,17,18)/t15-/m0/s1
InChIKeyQNMHFBVIFSZXKR-HNNXBMFYSA-N
MW275.30 g/mol
LogP2.29
Rot. Bonds3

About (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 68862416) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID68862416
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC=C1CN(C(=O)OCc2ccccc2)C[C@]1(C)C(=O)O
InChIInChI=1S/C15H17NO4/c1-11-8-16(10-15(11,2)13(17)18)14(19)20-9-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,17,18)/t15-/m0/s1
InChIKeyQNMHFBVIFSZXKR-HNNXBMFYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl (3R)-3-methyl-4-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 68861927
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
benzyl (3S,4S)-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 101067345
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
benzyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
CID 174934341
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
3-tert-butyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 135241816

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 68862416) is (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is C=C1CN(C(=O)OCc2ccccc2)C[C@]1(C)C(=O)O.
What is the InChIKey of (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is QNMHFBVIFSZXKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-8-16(10-15(11,2)13(17)18)14(19)20-9-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 68862416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).