2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid

C22H33NO4 — CID 70045519

IUPAC2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)[C@H](CCCCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)O
InChIInChI=1S/C22H33NO4/c1-16(2)18(13-8-4-7-12-17-10-5-3-6-11-17)21(25)23-15-9-14-19(23)20(24)22(26)27/h3,5-6,10-11,16,18-20,24H,4,7-9,12-15H2,1-2H3,(H,26,27)/t18-,19-,20?/m0/s1
InChIKeyLLAJLNGHRNBZAU-NFBCFJMWSA-N
MW375.51 g/mol
LogP3.50
Rot. Bonds10

About 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid

2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 70045519) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID70045519
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)[C@H](CCCCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)O
InChIInChI=1S/C22H33NO4/c1-16(2)18(13-8-4-7-12-17-10-5-3-6-11-17)21(25)23-15-9-14-19(23)20(24)22(26)27/h3,5-6,10-11,16,18-20,24H,4,7-9,12-15H2,1-2H3,(H,26,27)/t18-,19-,20?/m0/s1
InChIKeyLLAJLNGHRNBZAU-NFBCFJMWSA-N
XLogP3.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic 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

(2S)-1-(9-phenyl-2-propan-2-ylnonanoyl)pyrrolidine-2-carbaldehyde
CID 15712745
(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
CID 15712746
ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate
CID 57032935
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
CID 15712748
benzyl N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56985401
(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 18635784
(2R)-2-methyl-1-(7-phenyl-2-propan-2-ylheptanoyl)pyrrolidin-1-ium-1-carbaldehyde
CID 57189038
benzyl N-[(2R)-1-[2-[(1R)-1-hydroxy-2-methylpropyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67947010
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 10640260
2-(8-phenyloctyl)propanedioic acid
CID 20544236
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid (CID 70045519) is 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid is CC(C)[C@H](CCCCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is LLAJLNGHRNBZAU-NFBCFJMWSA-N. The full InChI is InChI=1S/C22H33NO4/c1-16(2)18(13-8-4-7-12-17-10-5-3-6-11-17)21(25)23-15-9-14-19(23)20(24)22(26)27/h3,5-6,10-11,16,18-20,24H,4,7-9,12-15H2,1-2H3,(H,26,27)/t18-,19-,20?/m0/s1.
What are the key properties of 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid?
2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 375.51 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 70045519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).