2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid

C14H20N2O3S — CID 104963495

IUPAC2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCC1CCC(NC(=O)NC(C(=O)O)c2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-9-4-6-10(7-5-9)15-14(19)16-12(13(17)18)11-3-2-8-20-11/h2-3,8-10,12H,4-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKZMBOEJMNUSAQG-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.75
Rot. Bonds4

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

2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 104963495) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID104963495
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCC1CCC(NC(=O)NC(C(=O)O)c2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-9-4-6-10(7-5-9)15-14(19)16-12(13(17)18)11-3-2-8-20-11/h2-3,8-10,12H,4-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKZMBOEJMNUSAQG-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285564
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285471
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285619
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
CID 115285428

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 104963495) is 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid is CC1CCC(NC(=O)NC(C(=O)O)c2cccs2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is KZMBOEJMNUSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-4-6-10(7-5-9)15-14(19)16-12(13(17)18)11-3-2-8-20-11/h2-3,8-10,12H,4-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 104963495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).