methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate

C16H31N3O4 — CID 59926474

IUPACmethyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate
SMILESCN[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)CC(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C16H31N3O4/c1-10(2)13(17-5)15(21)19(7)14(11(3)4)16(22)18(6)9-12(20)23-8/h10-11,13-14,17H,9H2,1-8H3/t13-,14-/m1/s1
InChIKeyQIJVLMSPFPGQSX-ZIAGYGMSSA-N
MW329.44 g/mol
LogP0.34
Rot. Bonds8

About methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate

methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate (PubChem CID 59926474) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate
PubChem CID59926474
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Namemethyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate
SMILESCN[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)CC(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C16H31N3O4/c1-10(2)13(17-5)15(21)19(7)14(11(3)4)16(22)18(6)9-12(20)23-8/h10-11,13-14,17H,9H2,1-8H3/t13-,14-/m1/s1
InChIKeyQIJVLMSPFPGQSX-ZIAGYGMSSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate (CID 59926474) is methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate is CN[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)CC(=O)OC)C(C)C)C(C)C.
What is the InChIKey of methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate?
The InChIKey is QIJVLMSPFPGQSX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-10(2)13(17-5)15(21)19(7)14(11(3)4)16(22)18(6)9-12(20)23-8/h10-11,13-14,17H,9H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate?
methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate has a molecular weight of 329.44 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2R)-3-methyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]acetate is sourced from PubChem (CID 59926474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).