1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea

C7H16N2O2 — CID 57328330

IUPAC1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCCNC(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)8-4-2/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyPZKWQLXWCWIRGV-LURJTMIESA-N
MW160.22 g/mol
LogP0.08
Rot. Bonds4

About 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea

1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea (PubChem CID 57328330) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea
PubChem CID57328330
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCCNC(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)8-4-2/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyPZKWQLXWCWIRGV-LURJTMIESA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea (CID 57328330) is 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea is CCNC(=O)N[C@@H](CC)CO.
What is the InChIKey of 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea?
The InChIKey is PZKWQLXWCWIRGV-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)8-4-2/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1.
What are the key properties of 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea?
1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea has a molecular weight of 160.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 57328330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).