[3-(dimethylamino)-2-hydroxypropyl] carbamate

C6H14N2O3 — CID 87246058

IUPAC[3-(dimethylamino)-2-hydroxypropyl] carbamate
SMILESCN(C)CC(O)COC(N)=O
InChIInChI=1S/C6H14N2O3/c1-8(2)3-5(9)4-11-6(7)10/h5,9H,3-4H2,1-2H3,(H2,7,10)
InChIKeyQLMGLWYTBJBKRD-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.00
Rot. Bonds4

About [3-(dimethylamino)-2-hydroxypropyl] carbamate

[3-(dimethylamino)-2-hydroxypropyl] carbamate (PubChem CID 87246058) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is [3-(dimethylamino)-2-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-hydroxypropyl] carbamate
PubChem CID87246058
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name[3-(dimethylamino)-2-hydroxypropyl] carbamate
SMILESCN(C)CC(O)COC(N)=O
InChIInChI=1S/C6H14N2O3/c1-8(2)3-5(9)4-11-6(7)10/h5,9H,3-4H2,1-2H3,(H2,7,10)
InChIKeyQLMGLWYTBJBKRD-UHFFFAOYSA-N
XLogP-1.00
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3-amino-2-hydroxypropyl) carbamate
CID 87536011
(3-acetyloxy-2-hydroxypropyl) acetate;1,3-bis(dimethylamino)propan-2-ol;butan-2-ol;1,3-dimethoxypropan-2-ol;[3-(dimethylamino)-2-hydroxypropyl] acetate;1-(dimethylamino)-3-methoxypropan-2-ol;(2-hydroxy-3-methoxypropyl) acetate
CID 161063613
3-(dimethylamino)-2-hydroxypropanamide;hydrochloride
CID 89312207
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
1-O-[3-(dimethylamino)-2-hydroxypropyl] 6-O-hexadecan-7-yl hexanedioate
CID 175624907
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
2-iodopropyl carbamate
CID 87289235
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
CID 58067985
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
CID 3022344
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-hydroxypropyl] carbamate?
The IUPAC name of [3-(dimethylamino)-2-hydroxypropyl] carbamate (CID 87246058) is [3-(dimethylamino)-2-hydroxypropyl] carbamate.
What is the SMILES notation for [3-(dimethylamino)-2-hydroxypropyl] carbamate?
The canonical SMILES for [3-(dimethylamino)-2-hydroxypropyl] carbamate is CN(C)CC(O)COC(N)=O.
What is the InChIKey of [3-(dimethylamino)-2-hydroxypropyl] carbamate?
The InChIKey is QLMGLWYTBJBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-8(2)3-5(9)4-11-6(7)10/h5,9H,3-4H2,1-2H3,(H2,7,10).
What are the key properties of [3-(dimethylamino)-2-hydroxypropyl] carbamate?
[3-(dimethylamino)-2-hydroxypropyl] carbamate has a molecular weight of 162.19 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-hydroxypropyl] carbamate is sourced from PubChem (CID 87246058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).