[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate

C6H12N2O4 — CID 170171988

IUPAC[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
SMILESCN(C)C(=O)[C@H](CO)OC(N)=O
InChIInChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)12-6(7)11/h4,9H,3H2,1-2H3,(H2,7,11)/t4-/m0/s1
InChIKeyJIZRFSMCCFZSCN-BYPYZUCNSA-N
MW176.17 g/mol
LogP-1.47
Rot. Bonds3

About [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate

[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate (PubChem CID 170171988) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
PubChem CID170171988
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
SMILESCN(C)C(=O)[C@H](CO)OC(N)=O
InChIInChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)12-6(7)11/h4,9H,3H2,1-2H3,(H2,7,11)/t4-/m0/s1
InChIKeyJIZRFSMCCFZSCN-BYPYZUCNSA-N
XLogP-1.47
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate (CID 170171988) is [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate is CN(C)C(=O)[C@H](CO)OC(N)=O.
What is the InChIKey of [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate?
The InChIKey is JIZRFSMCCFZSCN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)12-6(7)11/h4,9H,3H2,1-2H3,(H2,7,11)/t4-/m0/s1.
What are the key properties of [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate?
[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate has a molecular weight of 176.17 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 170171988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).