2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid

C15H25NO4 — CID 66781911

IUPAC2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
SMILESC=CCCCCOC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-2-3-4-8-11-20-15(19)16-13(14(17)18)12-9-6-5-7-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18)
InChIKeyRENLFPUHOIYGEG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.10
Rot. Bonds8

About 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid

2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid (PubChem CID 66781911) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
PubChem CID66781911
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
SMILESC=CCCCCOC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-2-3-4-8-11-20-15(19)16-13(14(17)18)12-9-6-5-7-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18)
InChIKeyRENLFPUHOIYGEG-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-(hept-6-enoxycarbonylamino)acetic acid
CID 66782617
pentyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734175
heptyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734178
(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
CID 118983364
(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
CID 59279898
2-(2,3-dihydro-1H-inden-2-yl)-2-(pent-4-enoxycarbonylamino)acetic acid
CID 59617538
(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
CID 59584889
(2S)-2-cyclohexyl-2-[[(1R,2R)-2-prop-2-enoxycyclopentyl]oxycarbonylamino]acetic acid
CID 68664954
(2S)-2-[[(1R,2S)-2-but-3-enyl-1-methylcyclopentyl]oxycarbonylamino]-2-cyclopentylacetic acid
CID 66828478
2-(hex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 75113125
dodecyl 2-cyclohexyl-2-(propoxycarbonylamino)acetate
CID 91732540
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid (CID 66781911) is 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid is C=CCCCCOC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid?
The InChIKey is RENLFPUHOIYGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-8-11-20-15(19)16-13(14(17)18)12-9-6-5-7-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18).
What are the key properties of 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid?
2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid has a molecular weight of 283.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid is sourced from PubChem (CID 66781911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).