2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid

C14H22N2O4 — CID 79845909

IUPAC2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
SMILESCC1CC1C(=O)NCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H22N2O4/c1-9-7-10(9)13(20)15-6-3-11(17)16-14(4-2-5-14)8-12(18)19/h9-10H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyONULEVWPBVMEOR-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.66
Rot. Bonds7

About 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid

2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid (PubChem CID 79845909) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
PubChem CID79845909
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
SMILESCC1CC1C(=O)NCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H22N2O4/c1-9-7-10(9)13(20)15-6-3-11(17)16-14(4-2-5-14)8-12(18)19/h9-10H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyONULEVWPBVMEOR-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178
1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81362085
N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115362728
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-(3-ethylsulfanylpropanoylamino)cyclobutyl]acetic acid
CID 115730896
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 82765950
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid (CID 79845909) is 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid is CC1CC1C(=O)NCCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid?
The InChIKey is ONULEVWPBVMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-7-10(9)13(20)15-6-3-11(17)16-14(4-2-5-14)8-12(18)19/h9-10H,2-8H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid?
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).