2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid

C9H15N3O5S — CID 68809495

IUPAC2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
SMILESNC(CO)C(=O)O.NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C6H8N2O2S.C3H7NO3/c7-5(6(9)10)1-4-2-11-3-8-4;4-2(1-5)3(6)7/h2-3,5H,1,7H2,(H,9,10);2,5H,1,4H2,(H,6,7)
InChIKeyAMUKSUNHTIICJE-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.51
Rot. Bonds5

About 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid

2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid (PubChem CID 68809495) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
PubChem CID68809495
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
SMILESNC(CO)C(=O)O.NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C6H8N2O2S.C3H7NO3/c7-5(6(9)10)1-4-2-11-3-8-4;4-2(1-5)3(6)7/h2-3,5H,1,7H2,(H,9,10);2,5H,1,4H2,(H,6,7)
InChIKeyAMUKSUNHTIICJE-UHFFFAOYSA-N
XLogP-1.51
TPSA159.76 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
CID 15018091
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
CID 157089134
CID 157089134
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 77020366
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2-methyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 76657349
2-amino-3-hydroxypropanoic acid;urea
CID 90283765

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid (CID 68809495) is 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid is NC(CO)C(=O)O.NC(Cc1cscn1)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid?
The InChIKey is AMUKSUNHTIICJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C3H7NO3/c7-5(6(9)10)1-4-2-11-3-8-4;4-2(1-5)3(6)7/h2-3,5H,1,7H2,(H,9,10);2,5H,1,4H2,(H,6,7).
What are the key properties of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid?
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid has a molecular weight of 277.30 g/mol, XLogP of -1.51, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 68809495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).