2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid

C12H17N3O4S — CID 61475979

IUPAC2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(Cc1ccsc1)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H17N3O4S/c1-8(4-9-2-3-20-7-9)15-12(19)14-5-10(16)13-6-11(17)18/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyYYIAOVCGJQZLRY-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.18
Rot. Bonds7

About 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 61475979) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID61475979
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(Cc1ccsc1)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H17N3O4S/c1-8(4-9-2-3-20-7-9)15-12(19)14-5-10(16)13-6-11(17)18/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyYYIAOVCGJQZLRY-UHFFFAOYSA-N
XLogP0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid with MolForge

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Related Compounds

2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide
CID 95278278
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
(2S)-2-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978
(2S)-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61475692
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid (CID 61475979) is 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid is CC(Cc1ccsc1)NC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is YYIAOVCGJQZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-8(4-9-2-3-20-7-9)15-12(19)14-5-10(16)13-6-11(17)18/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 299.35 g/mol, XLogP of 0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61475979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).