methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate

C13H25N3O3 — CID 170064721

IUPACmethyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(C(C)C)N(C)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H25N3O3/c1-9(2)11(12(17)19-5)15(4)13(18)16-7-6-14-8-10(16)3/h9-11,14H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyUENRCHOIOCSUNE-NFJWQWPMSA-N
MW271.36 g/mol
LogP0.53
Rot. Bonds3

About methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate

methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate (PubChem CID 170064721) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate
PubChem CID170064721
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(C(C)C)N(C)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H25N3O3/c1-9(2)11(12(17)19-5)15(4)13(18)16-7-6-14-8-10(16)3/h9-11,14H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyUENRCHOIOCSUNE-NFJWQWPMSA-N
XLogP0.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate (CID 170064721) is methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate is COC(=O)C(C(C)C)N(C)C(=O)N1CCNC[C@H]1C.
What is the InChIKey of methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate?
The InChIKey is UENRCHOIOCSUNE-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)11(12(17)19-5)15(4)13(18)16-7-6-14-8-10(16)3/h9-11,14H,6-8H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate?
methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate has a molecular weight of 271.36 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate is sourced from PubChem (CID 170064721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).