3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid

C15H26N2O3 — CID 61181431

IUPAC3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)NC1CCCCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)10-11-17(13-8-9-13)15(20)16-12-6-4-2-1-3-5-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyACXICLUUTDESOZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.75
Rot. Bonds5

About 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid

3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid (PubChem CID 61181431) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
PubChem CID61181431
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)NC1CCCCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)10-11-17(13-8-9-13)15(20)16-12-6-4-2-1-3-5-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyACXICLUUTDESOZ-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 64742171
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
CID 42699430
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099
1-butyl-1,3-dicyclopropylurea
CID 115579407

Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid (CID 61181431) is 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(C(=O)NC1CCCCCCC1)C1CC1.
What is the InChIKey of 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid?
The InChIKey is ACXICLUUTDESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)10-11-17(13-8-9-13)15(20)16-12-6-4-2-1-3-5-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid?
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 61181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).