(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid

C15H27N3O3 — CID 107566950

IUPAC(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-6-13(14(19)20)16-15(21)18-10-7-12(11-18)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)/t12?,13-/m1/s1
InChIKeyXQEQJHQBFBZHTH-ZGTCLIOFSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid

(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566950) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID107566950
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-6-13(14(19)20)16-15(21)18-10-7-12(11-18)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)/t12?,13-/m1/s1
InChIKeyXQEQJHQBFBZHTH-ZGTCLIOFSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-4-hydroxybutanoic acid
CID 63154911
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid (CID 107566950) is (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCC(N2CCCCC2)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is XQEQJHQBFBZHTH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-6-13(14(19)20)16-15(21)18-10-7-12(11-18)17-8-4-3-5-9-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).