(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid

C19H23N3O2 — CID 164633128

IUPAC(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C19H23N3O2/c23-19(24)18-12-21(11-17(18)15-6-7-15)10-16-8-20-13-22(16)9-14-4-2-1-3-5-14/h1-5,8,13,15,17-18H,6-7,9-12H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyBDYQDUGJRCQCNF-MSOLQXFVSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds6

About (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 164633128) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID164633128
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C19H23N3O2/c23-19(24)18-12-21(11-17(18)15-6-7-15)10-16-8-20-13-22(16)9-14-4-2-1-3-5-14/h1-5,8,13,15,17-18H,6-7,9-12H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyBDYQDUGJRCQCNF-MSOLQXFVSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-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

Methyl 3-(1-Benzyl-1H-imidazol-5-yl)-propanoate
CID 14535954
2-[2-[(2-Ethyl-4-methylimidazol-1-yl)methyl]phenyl]acetic acid
CID 60151424
Poly(1-benzylhistidine)
CID 193138
H-D-His(bzl)-OH
CID 314478
US9662310, Example 36
CID 53390530
US9662310, Example 30
CID 53390690
US9662310, Example 63
CID 71183684
US9662310, Example 51
CID 71184044
US9662310, Example 53
CID 118284829
2-(1-benzyl-1H-imidazol-5-yl)acetic acid hydrochloride
CID 67685024
2-Amino-3-(3-benzyl-2-tert-butylimidazol-4-yl)propanoic acid
CID 44291979
2-Amino-3-(1-benzyl-2-propan-2-ylimidazol-4-yl)propanoic acid
CID 44292075

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 164633128) is (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is BDYQDUGJRCQCNF-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(24)18-12-21(11-17(18)15-6-7-15)10-16-8-20-13-22(16)9-14-4-2-1-3-5-14/h1-5,8,13,15,17-18H,6-7,9-12H2,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164633128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).