3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea

C6H14N2O2 — CID 83038984

IUPAC3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
SMILESC[C@H](O)CNC(=O)N(C)C
InChIInChI=1S/C6H14N2O2/c1-5(9)4-7-6(10)8(2)3/h5,9H,4H2,1-3H3,(H,7,10)/t5-/m0/s1
InChIKeyCBBPPTNMRXEOMD-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.36
Rot. Bonds2

About 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea

3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea (PubChem CID 83038984) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
PubChem CID83038984
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
SMILESC[C@H](O)CNC(=O)N(C)C
InChIInChI=1S/C6H14N2O2/c1-5(9)4-7-6(10)8(2)3/h5,9H,4H2,1-3H3,(H,7,10)/t5-/m0/s1
InChIKeyCBBPPTNMRXEOMD-YFKPBYRVSA-N
XLogP-0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
3-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
CID 10678549
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea?
The IUPAC name of 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea (CID 83038984) is 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea is C[C@H](O)CNC(=O)N(C)C.
What is the InChIKey of 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea?
The InChIKey is CBBPPTNMRXEOMD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(9)4-7-6(10)8(2)3/h5,9H,4H2,1-3H3,(H,7,10)/t5-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea?
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea has a molecular weight of 146.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea is sourced from PubChem (CID 83038984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).