(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid

C7H10N2O2S — CID 15458720

IUPAC(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1ncc(C[C@H](N)C(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4-9-3-5(12-4)2-6(8)7(10)11/h3,6H,2,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyMOYJHNSIMNVRQP-LURJTMIESA-N
MW186.24 g/mol
LogP0.41
Rot. Bonds3

About (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid

(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 15458720) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID15458720
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1ncc(C[C@H](N)C(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4-9-3-5(12-4)2-6(8)7(10)11/h3,6H,2,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyMOYJHNSIMNVRQP-LURJTMIESA-N
XLogP0.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990
2-(aminomethyl)-4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanoic acid
CID 106489071
2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 54872501
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid (CID 15458720) is (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid is Cc1ncc(C[C@H](N)C(=O)O)s1.
What is the InChIKey of (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is MOYJHNSIMNVRQP-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-9-3-5(12-4)2-6(8)7(10)11/h3,6H,2,8H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid?
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 15458720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).