1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride

C8H18ClN3O2 — CID 54592760

IUPAC1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride
SMILESCCNC(=O)N[C@@H]1CNC[C@H]1OC.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-3-10-8(12)11-6-4-9-5-7(6)13-2;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H/t6-,7-;/m1./s1
InChIKeyDCBBSALQMAVJMY-ZJLYAJKPSA-N
MW223.70 g/mol
LogP-0.29
Rot. Bonds3

About 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride

1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride (PubChem CID 54592760) has the molecular formula C8H18ClN3O2 and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride
PubChem CID54592760
Molecular FormulaC8H18ClN3O2
Molecular Weight223.70 g/mol
Exact Mass223.11
IUPAC Name1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride
SMILESCCNC(=O)N[C@@H]1CNC[C@H]1OC.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-3-10-8(12)11-6-4-9-5-7(6)13-2;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H/t6-,7-;/m1./s1
InChIKeyDCBBSALQMAVJMY-ZJLYAJKPSA-N
XLogP-0.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride?
The IUPAC name of 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride (CID 54592760) is 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride.
What is the SMILES notation for 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride?
The canonical SMILES for 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride is CCNC(=O)N[C@@H]1CNC[C@H]1OC.Cl.
What is the InChIKey of 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride?
The InChIKey is DCBBSALQMAVJMY-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H17N3O2.ClH/c1-3-10-8(12)11-6-4-9-5-7(6)13-2;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H/t6-,7-;/m1./s1.
What are the key properties of 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride?
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea;hydrochloride is sourced from PubChem (CID 54592760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).