1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid

C10H16N2O4 — CID 62096994

IUPAC1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCNC(=O)CCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H16N2O4/c1-11-7(13)3-6-12-8(14)10(9(15)16)4-2-5-10/h2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyBIKPAHWXVKQRTA-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.51
Rot. Bonds5

About 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid

1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096994) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096994
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCNC(=O)CCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H16N2O4/c1-11-7(13)3-6-12-8(14)10(9(15)16)4-2-5-10/h2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyBIKPAHWXVKQRTA-UHFFFAOYSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(Methylcarbamoyl)cyclobutane-1-carboxylic acid
CID 50989026
1-(Cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 50990483
1-(2,2,2-Trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097289
1-(3,3,3-Trifluoropropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63227600
1-(4,4,4-Trifluorobutan-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 105945794
1-(2,2-Difluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115408330
1-(4,4,4-Trifluorobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115521706
1-(5,5,5-Trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115521720
1-[[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 167877204
1-[(2-Methoxycarbonyl-acetylamino)-methyl]-cyclobutanecarboxylic acid ethyl ester
CID 57654660
3-[(2-Carboxyacetyl)amino]-4,4-dimethylpentanoic acid
CID 58482758
1-(Propan-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 58618171

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 62096994) is 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid is CNC(=O)CCNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is BIKPAHWXVKQRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-11-7(13)3-6-12-8(14)10(9(15)16)4-2-5-10/h2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).