4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid

C15H28N2O3 — CID 83055439

IUPAC4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC1CCCCN1C(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-7-12-8-5-6-9-17(12)15(20)16-13(11(2)3)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIQDOPTDLTCTENF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid

4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 83055439) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID83055439
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC1CCCCN1C(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-7-12-8-5-6-9-17(12)15(20)16-13(11(2)3)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIQDOPTDLTCTENF-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
2-hydroxy-3-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055675
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 54954740
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid (CID 83055439) is 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid is CCCC1CCCCN1C(=O)NC(CC(=O)O)C(C)C.
What is the InChIKey of 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is IQDOPTDLTCTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-12-8-5-6-9-17(12)15(20)16-13(11(2)3)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid?
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 83055439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).