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

C14H26N2O3 — CID 114108830

IUPAC5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCC1(CNC(=O)NCC(C)CCC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-3-14(7-4-8-14)10-16-13(19)15-9-11(2)5-6-12(17)18/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLTJNZOHRNYTOTJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds8

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

5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 114108830) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID114108830
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCC1(CNC(=O)NCC(C)CCC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-3-14(7-4-8-14)10-16-13(19)15-9-11(2)5-6-12(17)18/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLTJNZOHRNYTOTJ-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
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
5-(Butylcarbamoylamino)-3-(trifluoromethyl)pentanoic acid
CID 112737714
1-[2-(1-Fluorocyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123847
5-(Carbamoylamino)-2-methylpentanoic acid
CID 54302715
4-Methyl-5-(methylcarbamoylamino)pentanoic acid
CID 82682851

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid (CID 114108830) is 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid is CCC1(CNC(=O)NCC(C)CCC(=O)O)CCC1.
What is the InChIKey of 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is LTJNZOHRNYTOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-14(7-4-8-14)10-16-13(19)15-9-11(2)5-6-12(17)18/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid?
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 114108830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).