2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid

C13H21N3O3S — CID 104527701

IUPAC2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(C(N)C(=O)O)cs1)C(C)C1CC1
InChIInChI=1S/C13H21N3O3S/c1-8(9-3-4-9)16(5-6-19-2)13-15-10(7-20-13)11(14)12(17)18/h7-9,11H,3-6,14H2,1-2H3,(H,17,18)
InChIKeyYJFJQBRZBKRPAM-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.48
Rot. Bonds8

About 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527701) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527701
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(C(N)C(=O)O)cs1)C(C)C1CC1
InChIInChI=1S/C13H21N3O3S/c1-8(9-3-4-9)16(5-6-19-2)13-15-10(7-20-13)11(14)12(17)18/h7-9,11H,3-6,14H2,1-2H3,(H,17,18)
InChIKeyYJFJQBRZBKRPAM-UHFFFAOYSA-N
XLogP1.48
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 104527701) is 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid is COCCN(c1nc(C(N)C(=O)O)cs1)C(C)C1CC1.
What is the InChIKey of 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YJFJQBRZBKRPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(9-3-4-9)16(5-6-19-2)13-15-10(7-20-13)11(14)12(17)18/h7-9,11H,3-6,14H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 299.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).