2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid

C15H27N3O3 — CID 65226508

IUPAC2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-12(14(19)20)10-16-15(21)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyKSSAJWWBLWWXRJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds5

About 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid

2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 65226508) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID65226508
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-12(14(19)20)10-16-15(21)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyKSSAJWWBLWWXRJ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
2-[(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)methyl]pentanoic acid
CID 65223617

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid (CID 65226508) is 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)N1CCC(N2CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is KSSAJWWBLWWXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-12(14(19)20)10-16-15(21)18-9-6-13(11-18)17-7-4-3-5-8-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid?
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).