(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

C7H10N2O2S — CID 55270490

IUPAC(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc([C@H](N)CC(=O)O)cs1
InChIInChI=1S/C7H10N2O2S/c1-4-9-6(3-12-4)5(8)2-7(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyNAMXXFFMFYFCOL-RXMQYKEDSA-N
MW186.24 g/mol
LogP0.93
Rot. Bonds3

About (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (PubChem CID 55270490) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
PubChem CID55270490
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc([C@H](N)CC(=O)O)cs1
InChIInChI=1S/C7H10N2O2S/c1-4-9-6(3-12-4)5(8)2-7(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyNAMXXFFMFYFCOL-RXMQYKEDSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(3S)-3-acetamido-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 104862990
(3S)-3-(2-methyl-1,3-thiazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104863011
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 174518821
3-amino-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 136988948
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (CID 55270490) is (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is Cc1nc([C@H](N)CC(=O)O)cs1.
What is the InChIKey of (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is NAMXXFFMFYFCOL-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-9-6(3-12-4)5(8)2-7(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 55270490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).