[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate

C6H11N3O6 — CID 163591932

IUPAC[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate
SMILESCOC(OC(N)=O)[C@H](OC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O6/c1-13-4(15-6(9)12)2(3(7)10)14-5(8)11/h2,4H,1H3,(H2,7,10)(H2,8,11)(H2,9,12)/t2-,4?/m1/s1
InChIKeyGQFGHIIQMVJVOM-DPAZEOEGSA-N
MW221.17 g/mol
LogP-2.00
Rot. Bonds5

About [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate

[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate (PubChem CID 163591932) has the molecular formula C6H11N3O6 and a molecular weight of 221.17 g/mol. Its IUPAC name is [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate
PubChem CID163591932
Molecular FormulaC6H11N3O6
Molecular Weight221.17 g/mol
Exact Mass221.06
IUPAC Name[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate
SMILESCOC(OC(N)=O)[C@H](OC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O6/c1-13-4(15-6(9)12)2(3(7)10)14-5(8)11/h2,4H,1H3,(H2,7,10)(H2,8,11)(H2,9,12)/t2-,4?/m1/s1
InChIKeyGQFGHIIQMVJVOM-DPAZEOEGSA-N
XLogP-2.00
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate (CID 163591932) is [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate is COC(OC(N)=O)[C@H](OC(N)=O)C(N)=O.
What is the InChIKey of [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate?
The InChIKey is GQFGHIIQMVJVOM-DPAZEOEGSA-N. The full InChI is InChI=1S/C6H11N3O6/c1-13-4(15-6(9)12)2(3(7)10)14-5(8)11/h2,4H,1H3,(H2,7,10)(H2,8,11)(H2,9,12)/t2-,4?/m1/s1.
What are the key properties of [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate?
[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate has a molecular weight of 221.17 g/mol, XLogP of -2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 163591932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).