2-(cyclooctanecarbonylamino)-3-methylpentanoic acid

C15H27NO3 — CID 65019151

IUPAC2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-11(2)13(15(18)19)16-14(17)12-9-7-5-4-6-8-10-12/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJKOVXZAGTULLKJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds5

About 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid

2-(cyclooctanecarbonylamino)-3-methylpentanoic acid (PubChem CID 65019151) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
PubChem CID65019151
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-11(2)13(15(18)19)16-14(17)12-9-7-5-4-6-8-10-12/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJKOVXZAGTULLKJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119212197
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid (CID 65019151) is 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)C1CCCCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid?
The InChIKey is JKOVXZAGTULLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-11(2)13(15(18)19)16-14(17)12-9-7-5-4-6-8-10-12/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid?
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctanecarbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 65019151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).