methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate

C7H10N2O3S — CID 23243531

IUPACmethyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)[C@H](N)[C@@H](O)c1nccs1
InChIInChI=1S/C7H10N2O3S/c1-12-7(11)4(8)5(10)6-9-2-3-13-6/h2-5,10H,8H2,1H3/t4-,5-/m1/s1
InChIKeyMEAOOIZRWGEWCL-RFZPGFLSSA-N
MW202.24 g/mol
LogP-0.32
Rot. Bonds3

About methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate

methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 23243531) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
PubChem CID23243531
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Namemethyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)[C@H](N)[C@@H](O)c1nccs1
InChIInChI=1S/C7H10N2O3S/c1-12-7(11)4(8)5(10)6-9-2-3-13-6/h2-5,10H,8H2,1H3/t4-,5-/m1/s1
InChIKeyMEAOOIZRWGEWCL-RFZPGFLSSA-N
XLogP-0.32
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,4-dihydroxy-4-(1,3-thiazol-2-yl)butanoate
CID 171894979
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
methyl (E,2S,3R)-2-amino-3-hydroxy-5-(1,3-thiazol-2-yl)pent-4-enoate
CID 101427625
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
CID 113373016
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate (CID 23243531) is methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate is COC(=O)[C@H](N)[C@@H](O)c1nccs1.
What is the InChIKey of methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is MEAOOIZRWGEWCL-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-12-7(11)4(8)5(10)6-9-2-3-13-6/h2-5,10H,8H2,1H3/t4-,5-/m1/s1.
What are the key properties of methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 202.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 23243531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).