4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid

C17H24N2O3 — CID 120728792

IUPAC4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13-9-10-19(12-13)17(22)18-15(7-8-16(20)21)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyNDNYCBCHYAFGOA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds6

About 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120728792) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120728792
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13-9-10-19(12-13)17(22)18-15(7-8-16(20)21)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyNDNYCBCHYAFGOA-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid (CID 120728792) is 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid is CC1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is NDNYCBCHYAFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-9-10-19(12-13)17(22)18-15(7-8-16(20)21)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120728792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).