1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid

C7H12N2O3 — CID 81162026

IUPAC1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C7H12N2O3/c1-8-6(12)9-7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)(H2,8,9,12)
InChIKeyDRAMSNPLXVUGPK-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.08
Rot. Bonds2

About 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81162026) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81162026
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C7H12N2O3/c1-8-6(12)9-7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)(H2,8,9,12)
InChIKeyDRAMSNPLXVUGPK-UHFFFAOYSA-N
XLogP-0.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 115910158
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 83020742
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106703650

Frequently Asked Questions

What is the IUPAC name of 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81162026) is 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid is CNC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is DRAMSNPLXVUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-8-6(12)9-7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)(H2,8,9,12).
What are the key properties of 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).