4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid

C14H23NO4 — CID 3128933

IUPAC4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid
SMILESO=C(CC(C(=O)O)C1CCCO1)NC1CCCCC1
InChIInChI=1S/C14H23NO4/c16-13(15-10-5-2-1-3-6-10)9-11(14(17)18)12-7-4-8-19-12/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyPPPJJHSMLUJGFW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds5

About 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid

4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid (PubChem CID 3128933) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid
PubChem CID3128933
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid
SMILESO=C(CC(C(=O)O)C1CCCO1)NC1CCCCC1
InChIInChI=1S/C14H23NO4/c16-13(15-10-5-2-1-3-6-10)9-11(14(17)18)12-7-4-8-19-12/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyPPPJJHSMLUJGFW-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(cyclohexylamino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoic acid
CID 769844
(2R)-4-(benzylamino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 670915
(2S)-4-(4-fluoroanilino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 7283075
(2S)-4-(4-methylanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoic acid
CID 791020
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
CID 112516456
N-cyclopentyl-2-[1-(oxolan-2-yl)ethylamino]propanamide
CID 43329481
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The IUPAC name of 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid (CID 3128933) is 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid.
What is the SMILES notation for 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The canonical SMILES for 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid is O=C(CC(C(=O)O)C1CCCO1)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
The InChIKey is PPPJJHSMLUJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(15-10-5-2-1-3-6-10)9-11(14(17)18)12-7-4-8-19-12/h10-12H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid?
4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid is sourced from PubChem (CID 3128933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).