1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H29NO3 — CID 106019145

IUPAC1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(CCC)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C16H29NO3/c1-3-5-9-13(8-4-2)17-14(18)12-16(15(19)20)10-6-7-11-16/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGOYNQZBAUFJKBS-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds9

About 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 106019145) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID106019145
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(CCC)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C16H29NO3/c1-3-5-9-13(8-4-2)17-14(18)12-16(15(19)20)10-6-7-11-16/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGOYNQZBAUFJKBS-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

(S)-4-((S)-Hexadecanoylamino)-6-methyl-heptanoic acid
CID 10318655
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexadecanoic acid
CID 44302022
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-octadecanoic acid
CID 44302043
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-undecanoic acid
CID 44302327
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-nonadecanoic acid
CID 10073353
2-(1-(Acetamidomethyl)cyclohexyl)acetic acid
CID 5248228
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-heptadecanoic acid
CID 44302044
1-((Cyclopropylcarbamoyl)methyl)cyclopentane-1-carboxylic acid
CID 4962582
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
2-[(Isopropylamino)carbonyl]cyclohexanecarboxylic acid
CID 2788077
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 106019145) is 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCCCC(CCC)NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GOYNQZBAUFJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-9-13(8-4-2)17-14(18)12-16(15(19)20)10-6-7-11-16/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106019145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).