2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid

C14H29NO2 — CID 114994118

IUPAC2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
SMILESCCCCCCC(C)(NC(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-6-7-8-9-10-14(5,13(16)17)15-12(4)11(2)3/h11-12,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyIQADKODLXJCOKR-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.43
Rot. Bonds9

About 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid

2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid (PubChem CID 114994118) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
PubChem CID114994118
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
SMILESCCCCCCC(C)(NC(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-6-7-8-9-10-14(5,13(16)17)15-12(4)11(2)3/h11-12,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyIQADKODLXJCOKR-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
(2R)-2-methyl-2-(3-oxododecanoylamino)decanoic acid
CID 162532296
2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-decyl-2-methylicosanoic acid
CID 174997379
2,2-dimethyldocosanoic acid
CID 23471202
2-decyl-2-methyltetradecanoic acid
CID 611890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid?
The IUPAC name of 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid (CID 114994118) is 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid is CCCCCCC(C)(NC(C)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid?
The InChIKey is IQADKODLXJCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-7-8-9-10-14(5,13(16)17)15-12(4)11(2)3/h11-12,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid?
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid is sourced from PubChem (CID 114994118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).