5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid

C11H16N2O3S — CID 54876002

IUPAC5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
SMILESCc1ncc(CN(C)C(=O)CCCC(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)7-13(2)10(14)4-3-5-11(15)16/h6H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyUGDPAJZSKWFABV-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.66
Rot. Bonds6

About 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid

5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid (PubChem CID 54876002) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
PubChem CID54876002
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
SMILESCc1ncc(CN(C)C(=O)CCCC(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)7-13(2)10(14)4-3-5-11(15)16/h6H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyUGDPAJZSKWFABV-UHFFFAOYSA-N
XLogP1.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid (CID 54876002) is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid is Cc1ncc(CN(C)C(=O)CCCC(=O)O)s1.
What is the InChIKey of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid?
The InChIKey is UGDPAJZSKWFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)7-13(2)10(14)4-3-5-11(15)16/h6H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid?
5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 54876002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).