(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid

C14H26N2O3 — CID 107472356

IUPAC(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)8-10(9-15)12(17)16-7-5-4-6-11(16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-/m0/s1
InChIKeyYJEYQMMPWYGSPP-DTIOYNMSSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds4

About (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid

(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid (PubChem CID 107472356) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
PubChem CID107472356
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)8-10(9-15)12(17)16-7-5-4-6-11(16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-/m0/s1
InChIKeyYJEYQMMPWYGSPP-DTIOYNMSSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(aminomethyl)butanoyl]azepane-2-carboxylic acid
CID 65228427
2-(aminomethyl)-1-(2-cyclohexylpyrrolidin-1-yl)-4,4-dimethylpentan-1-one
CID 107471603
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(aminomethyl)-4,4-dimethylpentan-1-one
CID 107472298
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-[2-(aminomethyl)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 65227126

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid (CID 107472356) is (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid is CC(C)(C)CC(CN)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid?
The InChIKey is YJEYQMMPWYGSPP-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)8-10(9-15)12(17)16-7-5-4-6-11(16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107472356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).