1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid

C12H16N2O4 — CID 81163076

IUPAC1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H16N2O4/c1-14(8-9-4-2-7-18-9)11(17)13-12(10(15)16)5-3-6-12/h2,4,7H,3,5-6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyKJYJYIUUPWSHTO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.43
Rot. Bonds4

About 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163076) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163076
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H16N2O4/c1-14(8-9-4-2-7-18-9)11(17)13-12(10(15)16)5-3-6-12/h2,4,7H,3,5-6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyKJYJYIUUPWSHTO-UHFFFAOYSA-N
XLogP1.43
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylate
CID 161049648
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250151
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091

Frequently Asked Questions

What is the IUPAC name of 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81163076) is 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is CN(Cc1ccco1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is KJYJYIUUPWSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(8-9-4-2-7-18-9)11(17)13-12(10(15)16)5-3-6-12/h2,4,7H,3,5-6,8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).