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

C7H16N2O2 — CID 131222710

IUPAC3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
SMILESCC[C@H](O)CNC(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-4-6(10)5-8-7(11)9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1
InChIKeyDVIROSVZBMQINF-LURJTMIESA-N
MW160.22 g/mol
LogP0.03
Rot. Bonds3

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

3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea (PubChem CID 131222710) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
PubChem CID131222710
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
SMILESCC[C@H](O)CNC(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-4-6(10)5-8-7(11)9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1
InChIKeyDVIROSVZBMQINF-LURJTMIESA-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-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
N'-(2-hydroxybutyl)oxamide
CID 175586464
N-(2-hydroxybutyl)-3-iodoprop-2-ynamide
CID 139991382
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea
CID 118603774
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
CID 10678549
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83120613

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea?
The IUPAC name of 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea (CID 131222710) is 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea is CC[C@H](O)CNC(=O)N(C)C.
What is the InChIKey of 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea?
The InChIKey is DVIROSVZBMQINF-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-6(10)5-8-7(11)9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea?
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea 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 3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea is sourced from PubChem (CID 131222710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).