2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid

C15H24N2O3S — CID 115285428

IUPAC2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C15H24N2O3S/c1-14(2,3)9-15(4,5)17-13(20)16-11(12(18)19)10-7-6-8-21-10/h6-8,11H,9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyJZTBPLNPHOIBKS-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.39
Rot. Bonds5

About 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid

2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid (PubChem CID 115285428) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
PubChem CID115285428
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C15H24N2O3S/c1-14(2,3)9-15(4,5)17-13(20)16-11(12(18)19)10-7-6-8-21-10/h6-8,11H,9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyJZTBPLNPHOIBKS-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 112602340
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
2-[(4-methylcyclohexyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 104963495
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115284233

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid (CID 115285428) is 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid is CC(C)(C)CC(C)(C)NC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid?
The InChIKey is JZTBPLNPHOIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-14(2,3)9-15(4,5)17-13(20)16-11(12(18)19)10-7-6-8-21-10/h6-8,11H,9H2,1-5H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid?
2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid has a molecular weight of 312.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 115285428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).