1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 119176267

IUPAC1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)CCC(=O)NCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(2)6-7-12(17)15-9-13(18)16-8-4-3-5-11(16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyKZCOXTYRTPBJKO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds6

About 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid

1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176267) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID119176267
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)CCC(=O)NCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(2)6-7-12(17)15-9-13(18)16-8-4-3-5-11(16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyKZCOXTYRTPBJKO-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
CID 43356114
(2S)-1-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70685975
1-[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-carboxybutanoyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 19033910
(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175767330
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid (CID 119176267) is 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid is CC(C)CCC(=O)NCC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is KZCOXTYRTPBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)6-7-12(17)15-9-13(18)16-8-4-3-5-11(16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid?
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).