methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate

C8H12N2O2S — CID 104770778

IUPACmethyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C[C@H](N)c1nc(C)cs1
InChIInChI=1S/C8H12N2O2S/c1-5-4-13-8(10-5)6(9)3-7(11)12-2/h4,6H,3,9H2,1-2H3/t6-/m0/s1
InChIKeyJEQAIDHXOFQXGV-LURJTMIESA-N
MW200.26 g/mol
LogP1.01
Rot. Bonds3

About methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate

methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate (PubChem CID 104770778) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
PubChem CID104770778
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C[C@H](N)c1nc(C)cs1
InChIInChI=1S/C8H12N2O2S/c1-5-4-13-8(10-5)6(9)3-7(11)12-2/h4,6H,3,9H2,1-2H3/t6-/m0/s1
InChIKeyJEQAIDHXOFQXGV-LURJTMIESA-N
XLogP1.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
methyl 3-amino-3-(4-methylthiophen-2-yl)propanoate
CID 57362735
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
CID 104771637
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
CID 10500453
CID 10500453
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104771577

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate (CID 104770778) is methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate is COC(=O)C[C@H](N)c1nc(C)cs1.
What is the InChIKey of methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate?
The InChIKey is JEQAIDHXOFQXGV-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-4-13-8(10-5)6(9)3-7(11)12-2/h4,6H,3,9H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate?
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate has a molecular weight of 200.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 104770778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).