molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane

C13H30N2O2 — CID 143487005

IUPACmolecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
SMILESCCC.CC[C@H](C[C@H]1CCCOC1)NC(N)=O.[H][H]
InChIInChI=1S/C10H20N2O2.C3H8.H2/c1-2-9(12-10(11)13)6-8-4-3-5-14-7-8;1-3-2;/h8-9H,2-7H2,1H3,(H3,11,12,13);3H2,1-2H3;1H/t8-,9-;;/m1../s1
InChIKeyIJWSXRRAYCSNRR-UONRGADFSA-N
MW246.39 g/mol
LogP2.91
Rot. Bonds4

About molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane

molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane (PubChem CID 143487005) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane.

Molecular Properties

Compound Namemolecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
PubChem CID143487005
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namemolecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
SMILESCCC.CC[C@H](C[C@H]1CCCOC1)NC(N)=O.[H][H]
InChIInChI=1S/C10H20N2O2.C3H8.H2/c1-2-9(12-10(11)13)6-8-4-3-5-14-7-8;1-3-2;/h8-9H,2-7H2,1H3,(H3,11,12,13);3H2,1-2H3;1H/t8-,9-;;/m1../s1
InChIKeyIJWSXRRAYCSNRR-UONRGADFSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(methylamino)-3-(oxan-3-yl)propan-2-yl]carbamic acid
CID 67366140
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
CID 69191542
hexan-3-ylurea;molecular hydrogen
CID 143768672
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
1-(oxan-3-yl)propan-2-amine
CID 63737520
(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride
CID 91928336
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoate
CID 169233574
[1-amino-4,4-dimethyl-2-[[(3S)-oxan-3-yl]methyl]pentan-3-yl]carbamic acid
CID 67253327
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane?
The IUPAC name of molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane (CID 143487005) is molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane.
What is the SMILES notation for molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane?
The canonical SMILES for molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane is CCC.CC[C@H](C[C@H]1CCCOC1)NC(N)=O.[H][H].
What is the InChIKey of molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane?
The InChIKey is IJWSXRRAYCSNRR-UONRGADFSA-N. The full InChI is InChI=1S/C10H20N2O2.C3H8.H2/c1-2-9(12-10(11)13)6-8-4-3-5-14-7-8;1-3-2;/h8-9H,2-7H2,1H3,(H3,11,12,13);3H2,1-2H3;1H/t8-,9-;;/m1../s1.
What are the key properties of molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane?
molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane has a molecular weight of 246.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane is sourced from PubChem (CID 143487005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).