2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid

C14H29NO2 — CID 114998058

IUPAC2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
SMILESCCC(C)C(C)NC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-7-11(4)12(5)15-14(6,13(16)17)9-8-10(2)3/h10-12,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyUECBDIQHZKVQLF-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.29
Rot. Bonds8

About 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid

2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid (PubChem CID 114998058) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
PubChem CID114998058
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
SMILESCCC(C)C(C)NC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-7-11(4)12(5)15-14(6,13(16)17)9-8-10(2)3/h10-12,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyUECBDIQHZKVQLF-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Isoleucyllysine
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Leucyllysine
CID 14299197
2-Acetylamino-3-cyclopropylpropionic acid
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CID 29901387
L-Isoleucyl-L-lysine
CID 44298547
4-(2-Boronoethyl)piperidine-2-carboxylic acid
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2-Methyl-2-piperidinecarboxylic acid
CID 566731

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid (CID 114998058) is 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid is CCC(C)C(C)NC(C)(CCC(C)C)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid?
The InChIKey is UECBDIQHZKVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-11(4)12(5)15-14(6,13(16)17)9-8-10(2)3/h10-12,15H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid?
2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid is sourced from PubChem (CID 114998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).