tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate

C17H34N2O3 — CID 10805237

IUPACtert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O3/c1-11(2)10-13(18-8)15(20)19(9)14(12(3)4)16(21)22-17(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+/m0/s1
InChIKeyBNBUYXSPWYBDBV-UONOGXRCSA-N
MW314.47 g/mol
LogP2.45
Rot. Bonds7

About tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate

tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate (PubChem CID 10805237) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
PubChem CID10805237
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O3/c1-11(2)10-13(18-8)15(20)19(9)14(12(3)4)16(21)22-17(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+/m0/s1
InChIKeyBNBUYXSPWYBDBV-UONOGXRCSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate (CID 10805237) is tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate is CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The InChIKey is BNBUYXSPWYBDBV-UONOGXRCSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-11(2)10-13(18-8)15(20)19(9)14(12(3)4)16(21)22-17(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate has a molecular weight of 314.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate is sourced from PubChem (CID 10805237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).