1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea

C11H22N2O2 — CID 97335162

IUPAC1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea
SMILESCCNC(=O)NCC1([C@H](O)C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-4-12-10(15)13-7-11(5-6-11)9(14)8(2)3/h8-9,14H,4-7H2,1-3H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyWJWXUARMLVYALQ-SECBINFHSA-N
MW214.31 g/mol
LogP1.10
Rot. Bonds5

About 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea

1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea (PubChem CID 97335162) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea
PubChem CID97335162
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea
SMILESCCNC(=O)NCC1([C@H](O)C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-4-12-10(15)13-7-11(5-6-11)9(14)8(2)3/h8-9,14H,4-7H2,1-3H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyWJWXUARMLVYALQ-SECBINFHSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea (CID 97335162) is 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea is CCNC(=O)NCC1([C@H](O)C(C)C)CC1.
What is the InChIKey of 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea?
The InChIKey is WJWXUARMLVYALQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-10(15)13-7-11(5-6-11)9(14)8(2)3/h8-9,14H,4-7H2,1-3H3,(H2,12,13,15)/t9-/m1/s1.
What are the key properties of 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea?
1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-[(1R)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea is sourced from PubChem (CID 97335162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).