2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid

C14H20N2O3S — CID 61195980

IUPAC2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1cccs1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h4,7-8,10,12H,1-3,5-6,9H2,(H,17,18)(H2,15,16,19)
InChIKeyRGVMQGMRQSPQDP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid

2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid (PubChem CID 61195980) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
PubChem CID61195980
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1cccs1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h4,7-8,10,12H,1-3,5-6,9H2,(H,17,18)(H2,15,16,19)
InChIKeyRGVMQGMRQSPQDP-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61199438
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
CID 64523352

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid (CID 61195980) is 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid is O=C(NCc1cccs1)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The InChIKey is RGVMQGMRQSPQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h4,7-8,10,12H,1-3,5-6,9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61195980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).