(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid

C10H13N3O5S — CID 62799107

IUPAC(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
SMILESNc1nc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cs1
InChIInChI=1S/C10H13N3O5S/c11-10-12-5(4-19-10)3-7(14)13-6(9(17)18)1-2-8(15)16/h4,6H,1-3H2,(H2,11,12)(H,13,14)(H,15,16)(H,17,18)/t6-/m0/s1
InChIKeyNWYZZPRIYVOZDD-LURJTMIESA-N
MW287.30 g/mol
LogP-0.30
Rot. Bonds7

About (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid

(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid (PubChem CID 62799107) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
PubChem CID62799107
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
SMILESNc1nc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cs1
InChIInChI=1S/C10H13N3O5S/c11-10-12-5(4-19-10)3-7(14)13-6(9(17)18)1-2-8(15)16/h4,6H,1-3H2,(H2,11,12)(H,13,14)(H,15,16)(H,17,18)/t6-/m0/s1
InChIKeyNWYZZPRIYVOZDD-LURJTMIESA-N
XLogP-0.30
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid with MolForge

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Related Compounds

(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894498
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 64685300
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid (CID 62799107) is (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid is Nc1nc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cs1.
What is the InChIKey of (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid?
The InChIKey is NWYZZPRIYVOZDD-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-10-12-5(4-19-10)3-7(14)13-6(9(17)18)1-2-8(15)16/h4,6H,1-3H2,(H2,11,12)(H,13,14)(H,15,16)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid?
(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid has a molecular weight of 287.30 g/mol, XLogP of -0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 62799107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).