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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Related Compounds

4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64545176
2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423150
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423992
2-amino-2-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423061
2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527466
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
4-(1-aminoethyl)-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64542950
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692503
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087

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).