3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid

C16H29NO3 — CID 120532492

IUPAC3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)C1CCCCCCC1
InChIInChI=1S/C16H29NO3/c1-3-16(4-2,12-14(18)19)17-15(20)13-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAPKSPATZZHYDCR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds6

About 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid

3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid (PubChem CID 120532492) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
PubChem CID120532492
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)C1CCCCCCC1
InChIInChI=1S/C16H29NO3/c1-3-16(4-2,12-14(18)19)17-15(20)13-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAPKSPATZZHYDCR-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
3-ethyl-3-(spiro[2.2]pentane-2-carbonylamino)pentanoic acid
CID 122108215
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide
CID 65018271
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
CID 119344214
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid?
The IUPAC name of 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid (CID 120532492) is 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid.
What is the SMILES notation for 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid?
The canonical SMILES for 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid is CCC(CC)(CC(=O)O)NC(=O)C1CCCCCCC1.
What is the InChIKey of 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid?
The InChIKey is APKSPATZZHYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-16(4-2,12-14(18)19)17-15(20)13-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid?
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid is sourced from PubChem (CID 120532492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).