5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid

C16H27NO4 — CID 122056439

IUPAC5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)C1CCCO1
InChIInChI=1S/C16H27NO4/c18-15(19)9-8-13(11-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h12-14H,1-11H2,(H,17,20)(H,18,19)
InChIKeyFPZNKQYDYRVHFZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.49
Rot. Bonds7

About 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid

5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid (PubChem CID 122056439) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
PubChem CID122056439
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)C1CCCO1
InChIInChI=1S/C16H27NO4/c18-15(19)9-8-13(11-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h12-14H,1-11H2,(H,17,20)(H,18,19)
InChIKeyFPZNKQYDYRVHFZ-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 122056923
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649
5,5-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 104867260
5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
CID 122056584
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
CID 163590521
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid (CID 122056439) is 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid is O=C(O)CCC(CC1CCCCC1)NC(=O)C1CCCO1.
What is the InChIKey of 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid?
The InChIKey is FPZNKQYDYRVHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c18-15(19)9-8-13(11-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h12-14H,1-11H2,(H,17,20)(H,18,19).
What are the key properties of 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid?
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 122056439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).