(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

C18H23NO3 — CID 120979366

IUPAC(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccccc1
InChIInChI=1S/C18H23NO3/c1-18(2,13-6-4-3-5-7-13)17(22)19-10-14(12-8-9-12)15(11-19)16(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyKBDNHRKLTVAFQK-CABCVRRESA-N
MW301.39 g/mol
LogP2.53
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 120979366) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID120979366
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccccc1
InChIInChI=1S/C18H23NO3/c1-18(2,13-6-4-3-5-7-13)17(22)19-10-14(12-8-9-12)15(11-19)16(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyKBDNHRKLTVAFQK-CABCVRRESA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120978070
(3R,4R)-4-cyclopropyl-1-[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 120979914
(3R,4R)-4-cyclopropyl-1-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]pyrrolidine-3-carboxylic acid
CID 120978075
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817
(3R,4R)-4-cyclopropyl-1-(2,2-dimethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120979600
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120659330
(3R,4R)-1-[2-(4-tert-butylphenoxy)acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979912
(3R,4R)-4-cyclopropyl-1-(2-naphthalen-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 120979377
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
(3R,4R)-4-cyclopropyl-1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 120979181

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (CID 120979366) is (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid is CC(C)(C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccccc1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KBDNHRKLTVAFQK-CABCVRRESA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2,13-6-4-3-5-7-13)17(22)19-10-14(12-8-9-12)15(11-19)16(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).