2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid

C15H22N2O3S — CID 115285564

IUPAC2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCC1CCC(NC(=O)NC(C(=O)O)c2cccs2)C(C)C1
InChIInChI=1S/C15H22N2O3S/c1-9-5-6-11(10(2)8-9)16-15(20)17-13(14(18)19)12-4-3-7-21-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDVBNLATXJICFAJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.00
Rot. Bonds4

About 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid

2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115285564) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID115285564
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCC1CCC(NC(=O)NC(C(=O)O)c2cccs2)C(C)C1
InChIInChI=1S/C15H22N2O3S/c1-9-5-6-11(10(2)8-9)16-15(20)17-13(14(18)19)12-4-3-7-21-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDVBNLATXJICFAJ-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 104963495
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285471
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285619
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(but-3-yn-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 114418385
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 115285564) is 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid is CC1CCC(NC(=O)NC(C(=O)O)c2cccs2)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is DVBNLATXJICFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-5-6-11(10(2)8-9)16-15(20)17-13(14(18)19)12-4-3-7-21-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).