2-(cyclooctanecarbonylamino)-4-methylpentanoic acid

C15H27NO3 — CID 65018915

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

About 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid

2-(cyclooctanecarbonylamino)-4-methylpentanoic acid (PubChem CID 65018915) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
PubChem CID65018915
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19)16-14(17)12-8-6-4-3-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUTPSMSJJKCKBMP-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)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid (CID 65018915) is 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid is CC(C)CC(NC(=O)C1CCCCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid?
The InChIKey is UTPSMSJJKCKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19)16-14(17)12-8-6-4-3-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclooctanecarbonylamino)-4-methylpentanoic acid?
2-(cyclooctanecarbonylamino)-4-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)-4-methylpentanoic acid is sourced from PubChem (CID 65018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).