2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid

C12H18N2O3S — CID 63065790

IUPAC2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1cccs1
InChIInChI=1S/C12H18N2O3S/c1-9(2)7-14(8-11(15)16)12(17)13-6-10-4-3-5-18-10/h3-5,9H,6-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDOIGLSSDXOZSFZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid

2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 63065790) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
PubChem CID63065790
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1cccs1
InChIInChI=1S/C12H18N2O3S/c1-9(2)7-14(8-11(15)16)12(17)13-6-10-4-3-5-18-10/h3-5,9H,6-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDOIGLSSDXOZSFZ-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
2-[2-methylpropyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 62034269
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid (CID 63065790) is 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCc1cccs1.
What is the InChIKey of 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is DOIGLSSDXOZSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)7-14(8-11(15)16)12(17)13-6-10-4-3-5-18-10/h3-5,9H,6-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid?
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63065790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).