2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid

C16H24N4O4S — CID 120606942

IUPAC2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)C2CCCN2c2nccs2)CCO1
InChIInChI=1S/C16H24N4O4S/c1-18(11-14(21)22)9-12-10-19(6-7-24-12)15(23)13-3-2-5-20(13)16-17-4-8-25-16/h4,8,12-13H,2-3,5-7,9-11H2,1H3,(H,21,22)
InChIKeyZVYFQJJGZCIXKO-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.36
Rot. Bonds6

About 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 120606942) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID120606942
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)C2CCCN2c2nccs2)CCO1
InChIInChI=1S/C16H24N4O4S/c1-18(11-14(21)22)9-12-10-19(6-7-24-12)15(23)13-3-2-5-20(13)16-17-4-8-25-16/h4,8,12-13H,2-3,5-7,9-11H2,1H3,(H,21,22)
InChIKeyZVYFQJJGZCIXKO-UHFFFAOYSA-N
XLogP0.36
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid (CID 120606942) is 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)C2CCCN2c2nccs2)CCO1.
What is the InChIKey of 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is ZVYFQJJGZCIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-18(11-14(21)22)9-12-10-19(6-7-24-12)15(23)13-3-2-5-20(13)16-17-4-8-25-16/h4,8,12-13H,2-3,5-7,9-11H2,1H3,(H,21,22).
What are the key properties of 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 120606942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).