1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

C13H22N2O4 — CID 114114284

IUPAC1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(NC(=O)NCC2(C(=O)O)CCC2)CCCOC1
InChIInChI=1S/C13H22N2O4/c1-12(4-3-7-19-9-12)15-11(18)14-8-13(10(16)17)5-2-6-13/h2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHFBWWZBTPDDOKI-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds4

About 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 114114284) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID114114284
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(NC(=O)NCC2(C(=O)O)CCC2)CCCOC1
InChIInChI=1S/C13H22N2O4/c1-12(4-3-7-19-9-12)15-11(18)14-8-13(10(16)17)5-2-6-13/h2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHFBWWZBTPDDOKI-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]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

2,2-dimethyl-3-[(3-methyloxan-3-yl)carbamoylamino]propanoic acid
CID 114114304
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
(3-methyloxan-3-yl)urea
CID 103895709
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
CID 114114265
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
3-(phenylmethoxycarbonylaminomethyl)oxane-3-carboxylic acid
CID 165478972
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
4-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440480

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 114114284) is 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC1(NC(=O)NCC2(C(=O)O)CCC2)CCCOC1.
What is the InChIKey of 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HFBWWZBTPDDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(4-3-7-19-9-12)15-11(18)14-8-13(10(16)17)5-2-6-13/h2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).