2-(nonylamino)-2-(2-oxoethyl)hexanoic acid

C17H33NO3 — CID 170325808

IUPAC2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
SMILESCCCCCCCCCNC(CC=O)(CCCC)C(=O)O
InChIInChI=1S/C17H33NO3/c1-3-5-7-8-9-10-11-14-18-17(13-15-19,16(20)21)12-6-4-2/h15,18H,3-14H2,1-2H3,(H,20,21)
InChIKeyGPEVGKMHIAKOSJ-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.93
Rot. Bonds15

About 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid

2-(nonylamino)-2-(2-oxoethyl)hexanoic acid (PubChem CID 170325808) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid.

Molecular Properties

Compound Name2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
PubChem CID170325808
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
SMILESCCCCCCCCCNC(CC=O)(CCCC)C(=O)O
InChIInChI=1S/C17H33NO3/c1-3-5-7-8-9-10-11-14-18-17(13-15-19,16(20)21)12-6-4-2/h15,18H,3-14H2,1-2H3,(H,20,21)
InChIKeyGPEVGKMHIAKOSJ-UHFFFAOYSA-N
XLogP3.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-butyl-2-formamidohexanoic acid
CID 121217700
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2,2-dichloro-2-(icosylamino)acetic acid
CID 141336439
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
N-heptyl-5-methylnonan-5-amine
CID 126560493
carbonic acid;N-hexylhexan-1-amine
CID 174995198
2-methyl-2-[[(Z)-octadec-9-enyl]amino]propanedioic acid
CID 141136168
2,2-dibutyloctanoic acid;neodymium
CID 174758367
2-(6-aminohexylamino)-2-decylpropanedioic acid
CID 162477286
2-(butylamino)-2-ethyl-4-oxopentanoic acid
CID 122603773

Frequently Asked Questions

What is the IUPAC name of 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid?
The IUPAC name of 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid (CID 170325808) is 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid.
What is the SMILES notation for 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid?
The canonical SMILES for 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid is CCCCCCCCCNC(CC=O)(CCCC)C(=O)O.
What is the InChIKey of 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid?
The InChIKey is GPEVGKMHIAKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-3-5-7-8-9-10-11-14-18-17(13-15-19,16(20)21)12-6-4-2/h15,18H,3-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid?
2-(nonylamino)-2-(2-oxoethyl)hexanoic acid has a molecular weight of 299.45 g/mol, XLogP of 3.93, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylamino)-2-(2-oxoethyl)hexanoic acid is sourced from PubChem (CID 170325808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).