1-(1-hydroxybutan-2-yl)-3-methylurea

C6H14N2O2 — CID 115279269

IUPAC1-(1-hydroxybutan-2-yl)-3-methylurea
SMILESCCC(CO)NC(=O)NC
InChIInChI=1S/C6H14N2O2/c1-3-5(4-9)8-6(10)7-2/h5,9H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyLPIICDOTEHHWAK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.31
Rot. Bonds3

About 1-(1-hydroxybutan-2-yl)-3-methylurea

1-(1-hydroxybutan-2-yl)-3-methylurea (PubChem CID 115279269) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-methylurea
PubChem CID115279269
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-(1-hydroxybutan-2-yl)-3-methylurea
SMILESCCC(CO)NC(=O)NC
InChIInChI=1S/C6H14N2O2/c1-3-5(4-9)8-6(10)7-2/h5,9H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyLPIICDOTEHHWAK-UHFFFAOYSA-N
XLogP-0.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea
CID 108909582
1-butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
CID 89197362
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine
CID 130928964

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-methylurea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-methylurea (CID 115279269) is 1-(1-hydroxybutan-2-yl)-3-methylurea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-methylurea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-methylurea is CCC(CO)NC(=O)NC.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-methylurea?
The InChIKey is LPIICDOTEHHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5(4-9)8-6(10)7-2/h5,9H,3-4H2,1-2H3,(H2,7,8,10).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-methylurea?
1-(1-hydroxybutan-2-yl)-3-methylurea has a molecular weight of 146.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-methylurea is sourced from PubChem (CID 115279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).