[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium

C14H29N2O2+ — CID 7437151

IUPAC[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/p+1/t12-,13-/m0/s1
InChIKeyNCETZSSCAXGGDG-STQMWFEESA-O
MW257.40 g/mol
LogP0.76
Rot. Bonds6

About [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7437151) has the molecular formula C14H29N2O2+ and a molecular weight of 257.40 g/mol. Its IUPAC name is [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7437151
Molecular FormulaC14H29N2O2+
Molecular Weight257.40 g/mol
Exact Mass257.22
IUPAC Name[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/p+1/t12-,13-/m0/s1
InChIKeyNCETZSSCAXGGDG-STQMWFEESA-O
XLogP0.76
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7437151) is [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium is CC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1)C(C)C.
What is the InChIKey of [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is NCETZSSCAXGGDG-STQMWFEESA-O. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/p+1/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 257.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7437151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).