2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

C15H22N2O3S — CID 79842228

IUPAC2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)N(Cc1cccs1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H22N2O3S/c1-11(2)17(10-12-5-3-8-21-12)14(20)16-15(6-4-7-15)9-13(18)19/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyALCRMUQLPWKGFX-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.07
Rot. Bonds6

About 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842228) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842228
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)N(Cc1cccs1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H22N2O3S/c1-11(2)17(10-12-5-3-8-21-12)14(20)16-15(6-4-7-15)9-13(18)19/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyALCRMUQLPWKGFX-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 107838915
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616433
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79842228) is 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is CC(C)N(Cc1cccs1)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is ALCRMUQLPWKGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)17(10-12-5-3-8-21-12)14(20)16-15(6-4-7-15)9-13(18)19/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).