2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid

C11H16N4O3S — CID 113423133

IUPAC2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H16N4O3S/c12-9(10(17)18)7-5-19-11(15-7)13-4-3-8(16)14-6-1-2-6/h5-6,9H,1-4,12H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyPYRGPIINUWLBPH-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.31
Rot. Bonds7

About 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 113423133) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID113423133
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H16N4O3S/c12-9(10(17)18)7-5-19-11(15-7)13-4-3-8(16)14-6-1-2-6/h5-6,9H,1-4,12H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyPYRGPIINUWLBPH-UHFFFAOYSA-N
XLogP0.31
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343003
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527741
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[2-(3,5-difluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527812
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]-1,3-thiazole-4-carboxylate
CID 80569352
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[(1-ethylpiperidin-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527698
2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 114124359
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 113423133) is 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PYRGPIINUWLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-9(10(17)18)7-5-19-11(15-7)13-4-3-8(16)14-6-1-2-6/h5-6,9H,1-4,12H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 284.34 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113423133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).