2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid

C12H18N2O3S — CID 167955036

IUPAC2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid
SMILESCOC1(C(C(=O)O)N(C)Cc2cscn2)CCC1
InChIInChI=1S/C12H18N2O3S/c1-14(6-9-7-18-8-13-9)10(11(15)16)12(17-2)4-3-5-12/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyNXEIVRSKLQTCED-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.60
Rot. Bonds6

About 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid

2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid (PubChem CID 167955036) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid
PubChem CID167955036
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid
SMILESCOC1(C(C(=O)O)N(C)Cc2cscn2)CCC1
InChIInChI=1S/C12H18N2O3S/c1-14(6-9-7-18-8-13-9)10(11(15)16)12(17-2)4-3-5-12/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyNXEIVRSKLQTCED-UHFFFAOYSA-N
XLogP1.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid (CID 167955036) is 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid is COC1(C(C(=O)O)N(C)Cc2cscn2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The InChIKey is NXEIVRSKLQTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(6-9-7-18-8-13-9)10(11(15)16)12(17-2)4-3-5-12/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 167955036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).