1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid

C14H26N2O3 — CID 114429643

IUPAC1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C(C)CCCN)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-11-6-8-16(12(9-11)14(18)19)13(17)10(2)5-4-7-15/h10-12H,3-9,15H2,1-2H3,(H,18,19)
InChIKeyZNPFDJUAKPMDNH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds6

About 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid

1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114429643) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114429643
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C(C)CCCN)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-11-6-8-16(12(9-11)14(18)19)13(17)10(2)5-4-7-15/h10-12H,3-9,15H2,1-2H3,(H,18,19)
InChIKeyZNPFDJUAKPMDNH-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429706
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114429643) is 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)C(C)CCCN)C(C(=O)O)C1.
What is the InChIKey of 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is ZNPFDJUAKPMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11-6-8-16(12(9-11)14(18)19)13(17)10(2)5-4-7-15/h10-12H,3-9,15H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114429643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).