1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea

C7H16N2O2 — CID 79159397

IUPAC1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
SMILESCCN(C)C(=O)N[C@H](C)CO
InChIInChI=1S/C7H16N2O2/c1-4-9(3)7(11)8-6(2)5-10/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m1/s1
InChIKeyMSZAHZGLOMIAGB-ZCFIWIBFSA-N
MW160.22 g/mol
LogP0.03
Rot. Bonds3

About 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea

1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea (PubChem CID 79159397) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
PubChem CID79159397
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
SMILESCCN(C)C(=O)N[C@H](C)CO
InChIInChI=1S/C7H16N2O2/c1-4-9(3)7(11)8-6(2)5-10/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m1/s1
InChIKeyMSZAHZGLOMIAGB-ZCFIWIBFSA-N
XLogP0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
CID 79159484
1,1,3-tris(1-hydroxypropan-2-yl)urea
CID 139645368
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]but-2-ynamide
CID 130978657
3-amino-1-ethyl-1-methylurea
CID 43263702
1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea
CID 79159834
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea (CID 79159397) is 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea is CCN(C)C(=O)N[C@H](C)CO.
What is the InChIKey of 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea?
The InChIKey is MSZAHZGLOMIAGB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-9(3)7(11)8-6(2)5-10/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m1/s1.
What are the key properties of 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea?
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea has a molecular weight of 160.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea is sourced from PubChem (CID 79159397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).