ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen

C10H24N2O2 — CID 177317699

IUPACethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
SMILESCC.CCN[C@H]1CCN(C(=O)OC)C1.[H][H]
InChIInChI=1S/C8H16N2O2.C2H6.H2/c1-3-9-7-4-5-10(6-7)8(11)12-2;1-2;/h7,9H,3-6H2,1-2H3;1-2H3;1H/t7-;;/m0../s1
InChIKeyIRNCDXYWYATGJL-KLXURFKVSA-N
MW204.31 g/mol
LogP1.71
Rot. Bonds2

About ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen

ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen (PubChem CID 177317699) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
PubChem CID177317699
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Nameethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
SMILESCC.CCN[C@H]1CCN(C(=O)OC)C1.[H][H]
InChIInChI=1S/C8H16N2O2.C2H6.H2/c1-3-9-7-4-5-10(6-7)8(11)12-2;1-2;/h7,9H,3-6H2,1-2H3;1-2H3;1H/t7-;;/m0../s1
InChIKeyIRNCDXYWYATGJL-KLXURFKVSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891994
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen?
The IUPAC name of ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen (CID 177317699) is ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen is CC.CCN[C@H]1CCN(C(=O)OC)C1.[H][H].
What is the InChIKey of ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen?
The InChIKey is IRNCDXYWYATGJL-KLXURFKVSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6.H2/c1-3-9-7-4-5-10(6-7)8(11)12-2;1-2;/h7,9H,3-6H2,1-2H3;1-2H3;1H/t7-;;/m0../s1.
What are the key properties of ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen?
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen has a molecular weight of 204.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 177317699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).