3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid

C15H27N3O3 — CID 81067589

IUPAC3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(N2CCCC2)C1)CC(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-12(9-14(19)20)10-16-15(21)18-8-5-13(11-18)17-6-3-4-7-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyKTNQSHDFLNLSRW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds6

About 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid

3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81067589) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID81067589
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(N2CCCC2)C1)CC(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-12(9-14(19)20)10-16-15(21)18-8-5-13(11-18)17-6-3-4-7-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyKTNQSHDFLNLSRW-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069891
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid (CID 81067589) is 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)N1CCC(N2CCCC2)C1)CC(=O)O.
What is the InChIKey of 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is KTNQSHDFLNLSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-12(9-14(19)20)10-16-15(21)18-8-5-13(11-18)17-6-3-4-7-17/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81067589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).