2-[acetyl(ethyl)amino]-2-methylnonanoic acid

C14H27NO3 — CID 63701700

IUPAC2-[acetyl(ethyl)amino]-2-methylnonanoic acid
SMILESCCCCCCCC(C)(C(=O)O)N(CC)C(C)=O
InChIInChI=1S/C14H27NO3/c1-5-7-8-9-10-11-14(4,13(17)18)15(6-2)12(3)16/h5-11H2,1-4H3,(H,17,18)
InChIKeyBTCGVMZSWVCVFR-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds9

About 2-[acetyl(ethyl)amino]-2-methylnonanoic acid

2-[acetyl(ethyl)amino]-2-methylnonanoic acid (PubChem CID 63701700) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-methylnonanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-methylnonanoic acid
PubChem CID63701700
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[acetyl(ethyl)amino]-2-methylnonanoic acid
SMILESCCCCCCCC(C)(C(=O)O)N(CC)C(C)=O
InChIInChI=1S/C14H27NO3/c1-5-7-8-9-10-11-14(4,13(17)18)15(6-2)12(3)16/h5-11H2,1-4H3,(H,17,18)
InChIKeyBTCGVMZSWVCVFR-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-(diethylcarbamoyl)-2-methylpentadecanoic acid
CID 101279101
2-decyl-2-methyltetradecanoic acid
CID 611890
2,2-dimethyldocosanoic acid
CID 23471202
2-heptyl-2-methylpropanedioic acid
CID 89147986
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methylicosanoic acid
CID 174997379
2-(2-carboxyicosan-2-ylsulfanyl)-2-methylicosanoic acid;2-(2-carboxytetradecan-2-ylsulfanyl)-2-methyltetradecanoic acid
CID 121452127
2-(2-carboxydodecan-2-ylsulfanyl)-2-methyldodecanoic acid
CID 22633720
2-(2-carboxynonan-2-ylsulfanyl)-2-methylnonanoic acid
CID 21499316

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-methylnonanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-methylnonanoic acid (CID 63701700) is 2-[acetyl(ethyl)amino]-2-methylnonanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-methylnonanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-methylnonanoic acid is CCCCCCCC(C)(C(=O)O)N(CC)C(C)=O.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-methylnonanoic acid?
The InChIKey is BTCGVMZSWVCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-8-9-10-11-14(4,13(17)18)15(6-2)12(3)16/h5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[acetyl(ethyl)amino]-2-methylnonanoic acid?
2-[acetyl(ethyl)amino]-2-methylnonanoic acid has a molecular weight of 257.37 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-methylnonanoic acid is sourced from PubChem (CID 63701700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).