2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid

C16H29NO3 — CID 3125314

IUPAC2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-4-10-14(16(19)20)12(2)11-15(18)17-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySGCWONNFFYFNAO-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds8

About 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid

2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid (PubChem CID 3125314) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
PubChem CID3125314
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-4-10-14(16(19)20)12(2)11-15(18)17-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySGCWONNFFYFNAO-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 7008015
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
CID 112516456
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
N-cyclooctyl-2-ethylhexanamide
CID 3989939
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclopentyl-2-ethylhexanamide
CID 4146053
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid?
The IUPAC name of 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid (CID 3125314) is 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid.
What is the SMILES notation for 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid?
The canonical SMILES for 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid is CCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid?
The InChIKey is SGCWONNFFYFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-10-14(16(19)20)12(2)11-15(18)17-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid?
2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid is sourced from PubChem (CID 3125314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).