1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid

C11H14N2O3S — CID 81163003

IUPAC1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCc1cccs1)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H14N2O3S/c14-9(15)11(4-2-5-11)13-10(16)12-7-8-3-1-6-17-8/h1,3,6H,2,4-5,7H2,(H,14,15)(H2,12,13,16)
InChIKeyNFEVFMLGOUNXMM-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.55
Rot. Bonds4

About 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81163003) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81163003
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCc1cccs1)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H14N2O3S/c14-9(15)11(4-2-5-11)13-10(16)12-7-8-3-1-6-17-8/h1,3,6H,2,4-5,7H2,(H,14,15)(H2,12,13,16)
InChIKeyNFEVFMLGOUNXMM-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
1-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106005444
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81163003) is 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid is O=C(NCc1cccs1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NFEVFMLGOUNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9(15)11(4-2-5-11)13-10(16)12-7-8-3-1-6-17-8/h1,3,6H,2,4-5,7H2,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).