4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid

C14H26N2O3 — CID 104914105

IUPAC4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
SMILESCC(C)(CCNC(=O)[C@H]1CCCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,7-6-12(17)18)8-10-16-13(19)11-5-3-4-9-15-11/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyRYFNRMJXECVDOQ-LLVKDONJSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds7

About 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid

4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid (PubChem CID 104914105) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
PubChem CID104914105
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
SMILESCC(C)(CCNC(=O)[C@H]1CCCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,7-6-12(17)18)8-10-16-13(19)11-5-3-4-9-15-11/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyRYFNRMJXECVDOQ-LLVKDONJSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285883
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
CID 65285697
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid (CID 104914105) is 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid is CC(C)(CCNC(=O)[C@H]1CCCCN1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid?
The InChIKey is RYFNRMJXECVDOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,7-6-12(17)18)8-10-16-13(19)11-5-3-4-9-15-11/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid?
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 104914105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).