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

C14H17NO4 — CID 71814981

IUPAC(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c1-14(12(16)17)7-8-15(10-14)13(18)19-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyPVHTZUOXJDYNBQ-CQSZACIVSA-N
MW263.29 g/mol
LogP2.12
Rot. Bonds3

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

(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 71814981) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID71814981
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c1-14(12(16)17)7-8-15(10-14)13(18)19-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyPVHTZUOXJDYNBQ-CQSZACIVSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
3-tert-butyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 135241816
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
3-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 19691484
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 71814981) is (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is PVHTZUOXJDYNBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(12(16)17)7-8-15(10-14)13(18)19-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).