[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium

C12H23N2O3+ — CID 7437115

IUPAC[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
SMILESO=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O3/c15-12(14-8-11-4-2-6-17-11)9-13-7-10-3-1-5-16-10/h10-11,13H,1-9H2,(H,14,15)/p+1/t10-,11+/m1/s1
InChIKeyVGQDCTHHWXJXJC-MNOVXSKESA-O
MW243.33 g/mol
LogP-0.98
Rot. Bonds6

About [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium

[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium (PubChem CID 7437115) has the molecular formula C12H23N2O3+ and a molecular weight of 243.33 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
PubChem CID7437115
Molecular FormulaC12H23N2O3+
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
SMILESO=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O3/c15-12(14-8-11-4-2-6-17-11)9-13-7-10-3-1-5-16-10/h10-11,13H,1-9H2,(H,14,15)/p+1/t10-,11+/m1/s1
InChIKeyVGQDCTHHWXJXJC-MNOVXSKESA-O
XLogP-0.98
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium with MolForge

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7406211
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium?
The IUPAC name of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium (CID 7437115) is [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium is O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium?
The InChIKey is VGQDCTHHWXJXJC-MNOVXSKESA-O. The full InChI is InChI=1S/C12H22N2O3/c15-12(14-8-11-4-2-6-17-11)9-13-7-10-3-1-5-16-10/h10-11,13H,1-9H2,(H,14,15)/p+1/t10-,11+/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium?
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium has a molecular weight of 243.33 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium is sourced from PubChem (CID 7437115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).