5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid

C13H24N2O3 — CID 113488992

IUPAC5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCC1(NC(=O)NCC(C)CCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-3-13(7-4-8-13)15-12(18)14-9-10(2)5-6-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyXCLDXJWRXYEANR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds7

About 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid

5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 113488992) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID113488992
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCC1(NC(=O)NCC(C)CCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-3-13(7-4-8-13)15-12(18)14-9-10(2)5-6-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyXCLDXJWRXYEANR-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-5-(3,3,3-trifluoropropylcarbamoylamino)pentanoic acid
CID 82013639
5-(2,2-Difluoroethylcarbamoylamino)-4-methylpentanoic acid
CID 82013811
4-Methyl-5-(4,4,4-trifluorobutylcarbamoylamino)pentanoic acid
CID 82013812
4-Methyl-5-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 82013963
2-Methyl-5-(3,3,3-trifluoropropylcarbamoylamino)pentanoic acid
CID 104686655
5-(2,2-Difluoroethylcarbamoylamino)-2-methylpentanoic acid
CID 104686861
2-Methyl-5-(4,4,4-trifluorobutylcarbamoylamino)pentanoic acid
CID 104686862
2-Methyl-5-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 104686863
2-Methyl-5-(4,4,4-trifluorobutan-2-ylcarbamoylamino)pentanoic acid
CID 105945066
2-Methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
CID 106216546
4-Methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
CID 106216606
5-(Tert-butylcarbamoylamino)-3-(trifluoromethyl)pentanoic acid
CID 112737713

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid (CID 113488992) is 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid is CCC1(NC(=O)NCC(C)CCC(=O)O)CCC1.
What is the InChIKey of 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is XCLDXJWRXYEANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-13(7-4-8-13)15-12(18)14-9-10(2)5-6-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid?
5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 113488992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).