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

C6H15N3O2 — CID 10678549

IUPAC3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC[C@H](N)CO
InChIInChI=1S/C6H15N3O2/c1-9(2)6(11)8-3-5(7)4-10/h5,10H,3-4,7H2,1-2H3,(H,8,11)/t5-/m0/s1
InChIKeyHWRJPZZTXWPMSX-YFKPBYRVSA-N
MW161.20 g/mol
LogP-1.42
Rot. Bonds3

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

3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea (PubChem CID 10678549) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
PubChem CID10678549
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC[C@H](N)CO
InChIInChI=1S/C6H15N3O2/c1-9(2)6(11)8-3-5(7)4-10/h5,10H,3-4,7H2,1-2H3,(H,8,11)/t5-/m0/s1
InChIKeyHWRJPZZTXWPMSX-YFKPBYRVSA-N
XLogP-1.42
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
3-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83120613
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea?
The IUPAC name of 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea (CID 10678549) is 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea is CN(C)C(=O)NC[C@H](N)CO.
What is the InChIKey of 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea?
The InChIKey is HWRJPZZTXWPMSX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-9(2)6(11)8-3-5(7)4-10/h5,10H,3-4,7H2,1-2H3,(H,8,11)/t5-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea?
3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea has a molecular weight of 161.20 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea is sourced from PubChem (CID 10678549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).