(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid

C11H16N4O4S — CID 107830223

IUPAC(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
SMILESCC(N)c1nc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1
InChIInChI=1S/C11H16N4O4S/c1-5(12)10-15-7(4-20-10)9(17)14-6(11(18)19)2-3-8(13)16/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t5?,6-/m1/s1
InChIKeyCGWJBLJEOOYQGJ-PRJDIBJQSA-N
MW300.34 g/mol
LogP-0.39
Rot. Bonds7

About (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 107830223) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
PubChem CID107830223
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
SMILESCC(N)c1nc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1
InChIInChI=1S/C11H16N4O4S/c1-5(12)10-15-7(4-20-10)9(17)14-6(11(18)19)2-3-8(13)16/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t5?,6-/m1/s1
InChIKeyCGWJBLJEOOYQGJ-PRJDIBJQSA-N
XLogP-0.39
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66390469
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-(1-aminoethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66389833
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid (CID 107830223) is (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid is CC(N)c1nc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1.
What is the InChIKey of (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is CGWJBLJEOOYQGJ-PRJDIBJQSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-5(12)10-15-7(4-20-10)9(17)14-6(11(18)19)2-3-8(13)16/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/t5?,6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 300.34 g/mol, XLogP of -0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).