4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid

C17H24N2O4 — CID 22369490

IUPAC4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)N(CCCCCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c18-17(16(22)23)11-14(15(20)21)19(12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,18H2,(H,20,21)(H,22,23)
InChIKeyVMHMSOIIEQVKTD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.34
Rot. Bonds8

About 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid

4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 22369490) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID22369490
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)N(CCCCCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c18-17(16(22)23)11-14(15(20)21)19(12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,18H2,(H,20,21)(H,22,23)
InChIKeyVMHMSOIIEQVKTD-UHFFFAOYSA-N
XLogP1.34
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
(2R,4R)-4-amino-1-[(3-nitrophenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
CID 10385210
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
CID 22369510
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334930
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
CID 174568694
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
7-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 13136851

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid (CID 22369490) is 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid is NC1(C(=O)O)CC(C(=O)O)N(CCCCCc2ccccc2)C1.
What is the InChIKey of 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is VMHMSOIIEQVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c18-17(16(22)23)11-14(15(20)21)19(12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,18H2,(H,20,21)(H,22,23).
What are the key properties of 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid?
4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 22369490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).