2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

C12H18N2O2S — CID 106490163

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc(CC(CN)(CC2CC2)C(=O)O)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-14-10(6-17-8)5-12(7-13,11(15)16)4-9-2-3-9/h6,9H,2-5,7,13H2,1H3,(H,15,16)
InChIKeyWMULCOPABRDMIP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.82
Rot. Bonds6

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (PubChem CID 106490163) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
PubChem CID106490163
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc(CC(CN)(CC2CC2)C(=O)O)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-14-10(6-17-8)5-12(7-13,11(15)16)4-9-2-3-9/h6,9H,2-5,7,13H2,1H3,(H,15,16)
InChIKeyWMULCOPABRDMIP-UHFFFAOYSA-N
XLogP1.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 106506878
2-cyclopropyl-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112567195
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
CID 106490159
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 114900157
2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611899
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
CID 106507657
2-[cyclopropanecarbonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-3-methylbutanoic acid
CID 166279160

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (CID 106490163) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is Cc1nc(CC(CN)(CC2CC2)C(=O)O)cs1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is WMULCOPABRDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-14-10(6-17-8)5-12(7-13,11(15)16)4-9-2-3-9/h6,9H,2-5,7,13H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 254.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 106490163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).