1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid

C14H22N2O4 — CID 81362085

IUPAC1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H22N2O4/c1-9-7-10(9)12(18)15-6-3-11(17)16-8-14(13(19)20)4-2-5-14/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyKSAXJMPIAOKQKE-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.52
Rot. Bonds7

About 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362085) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362085
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H22N2O4/c1-9-7-10(9)12(18)15-6-3-11(17)16-8-14(13(19)20)4-2-5-14/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyKSAXJMPIAOKQKE-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115362728
1-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369655
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
CID 79845909
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(3-methylsulfanylpropanoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443463
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 82765950
1-[[3-(ethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442654
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 95281523
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid (CID 81362085) is 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid is CC1CC1C(=O)NCCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KSAXJMPIAOKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-7-10(9)12(18)15-6-3-11(17)16-8-14(13(19)20)4-2-5-14/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).