2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid

C13H19N3O4S — CID 79488505

IUPAC2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCC(Cc1cccs1)N(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-9(6-10-4-3-5-21-10)16(2)13(20)15-7-11(17)14-8-12(18)19/h3-5,9H,6-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyRANMWWQKSURREH-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.52
Rot. Bonds7

About 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 79488505) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID79488505
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCC(Cc1cccs1)N(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-9(6-10-4-3-5-21-10)16(2)13(20)15-7-11(17)14-8-12(18)19/h3-5,9H,6-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyRANMWWQKSURREH-UHFFFAOYSA-N
XLogP0.52
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-[4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 79488944
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid (CID 79488505) is 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid is CC(Cc1cccs1)N(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is RANMWWQKSURREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9(6-10-4-3-5-21-10)16(2)13(20)15-7-11(17)14-8-12(18)19/h3-5,9H,6-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 79488505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).