1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid

C10H15NO3 — CID 115910158

IUPAC1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
SMILESC/C=C(/C)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H15NO3/c1-3-7(2)8(12)11-10(9(13)14)5-4-6-10/h3H,4-6H2,1-2H3,(H,11,12)(H,13,14)/b7-3-
InChIKeyRDDIQZWKXVTQOW-CLTKARDFSA-N
MW197.23 g/mol
LogP1.08
Rot. Bonds3

About 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid

1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 115910158) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID115910158
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
SMILESC/C=C(/C)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H15NO3/c1-3-7(2)8(12)11-10(9(13)14)5-4-6-10/h3H,4-6H2,1-2H3,(H,11,12)(H,13,14)/b7-3-
InChIKeyRDDIQZWKXVTQOW-CLTKARDFSA-N
XLogP1.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid
CID 115909854
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[[(E)-4,4-dimethylpent-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 115910186
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173
1-[[(2E,4E)-hexa-2,4-dienoyl]amino]cycloheptane-1-carboxylic acid
CID 43341626
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106703650
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
CID 115910174

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid (CID 115910158) is 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid is C/C=C(/C)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is RDDIQZWKXVTQOW-CLTKARDFSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-7(2)8(12)11-10(9(13)14)5-4-6-10/h3H,4-6H2,1-2H3,(H,11,12)(H,13,14)/b7-3-.
What are the key properties of 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid?
1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115910158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).