2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid

C15H28N2O3 — CID 61181430

IUPAC2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11-15(2,13(18)19)17-14(20)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMXJOCHRIXBKNRN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.04
Rot. Bonds5

About 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid

2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 61181430) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
PubChem CID61181430
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11-15(2,13(18)19)17-14(20)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMXJOCHRIXBKNRN-UHFFFAOYSA-N
XLogP3.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-[(1,1-dioxothian-4-yl)carbamoylamino]-2-methylpentanoic acid
CID 61201471
2-methyl-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364259
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 61223431
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792259
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
CID 83019592
N-cyclohexyl-2-(2-methylpentan-2-ylamino)acetamide
CID 115621342

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid (CID 61181430) is 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)NC1CCCCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is MXJOCHRIXBKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-11-15(2,13(18)19)17-14(20)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid?
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 61181430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).