4-(cyclooctylamino)-5-phenylpentanoic acid

C19H29NO2 — CID 122046085

IUPAC4-(cyclooctylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCCCCCC1
InChIInChI=1S/C19H29NO2/c21-19(22)14-13-18(15-16-9-5-4-6-10-16)20-17-11-7-2-1-3-8-12-17/h4-6,9-10,17-18,20H,1-3,7-8,11-15H2,(H,21,22)
InChIKeyKEWDDLCKRQMBFE-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.16
Rot. Bonds7

About 4-(cyclooctylamino)-5-phenylpentanoic acid

4-(cyclooctylamino)-5-phenylpentanoic acid (PubChem CID 122046085) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(cyclooctylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(cyclooctylamino)-5-phenylpentanoic acid
PubChem CID122046085
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-(cyclooctylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCCCCCC1
InChIInChI=1S/C19H29NO2/c21-19(22)14-13-18(15-16-9-5-4-6-10-16)20-17-11-7-2-1-3-8-12-17/h4-6,9-10,17-18,20H,1-3,7-8,11-15H2,(H,21,22)
InChIKeyKEWDDLCKRQMBFE-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
CID 122046074
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
CID 82350551
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
CID 122046069
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
CID 120511977
4-[(4-ethoxycarbonyl-3-methylcyclohexyl)amino]-5-phenylpentanoic acid
CID 122045950
4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid
CID 122045943
4-cyclohexyl-5-oxo-6-phenylhexanoic acid
CID 141190794

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(cyclooctylamino)-5-phenylpentanoic acid (CID 122046085) is 4-(cyclooctylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(cyclooctylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(cyclooctylamino)-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC1CCCCCCC1.
What is the InChIKey of 4-(cyclooctylamino)-5-phenylpentanoic acid?
The InChIKey is KEWDDLCKRQMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-19(22)14-13-18(15-16-9-5-4-6-10-16)20-17-11-7-2-1-3-8-12-17/h4-6,9-10,17-18,20H,1-3,7-8,11-15H2,(H,21,22).
What are the key properties of 4-(cyclooctylamino)-5-phenylpentanoic acid?
4-(cyclooctylamino)-5-phenylpentanoic acid has a molecular weight of 303.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122046085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).