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

C5H9N3O6 — CID 163737512

IUPAC[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate
SMILESNC(=O)O[C@H](C(N)=O)[C@@H](O)OC(N)=O
InChIInChI=1S/C5H9N3O6/c6-2(9)1(13-4(7)11)3(10)14-5(8)12/h1,3,10H,(H2,6,9)(H2,7,11)(H2,8,12)/t1-,3+/m1/s1
InChIKeyLEXBSSRFZAHYOW-GPKNORDASA-N
MW207.14 g/mol
LogP-2.65
Rot. Bonds4

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

[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate (PubChem CID 163737512) has the molecular formula C5H9N3O6 and a molecular weight of 207.14 g/mol. Its IUPAC name is [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate
PubChem CID163737512
Molecular FormulaC5H9N3O6
Molecular Weight207.14 g/mol
Exact Mass207.05
IUPAC Name[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate
SMILESNC(=O)O[C@H](C(N)=O)[C@@H](O)OC(N)=O
InChIInChI=1S/C5H9N3O6/c6-2(9)1(13-4(7)11)3(10)14-5(8)12/h1,3,10H,(H2,6,9)(H2,7,11)(H2,8,12)/t1-,3+/m1/s1
InChIKeyLEXBSSRFZAHYOW-GPKNORDASA-N
XLogP-2.65
TPSA167.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-1-amino-3-carbamoyloxy-3-methoxy-1-oxopropan-2-yl] carbamate
CID 163591932
[(2R)-3-hydroxy-1-(methoxyamino)-1-oxopropan-2-yl] carbamate
CID 175415143

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate (CID 163737512) is [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate is NC(=O)O[C@H](C(N)=O)[C@@H](O)OC(N)=O.
What is the InChIKey of [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate?
The InChIKey is LEXBSSRFZAHYOW-GPKNORDASA-N. The full InChI is InChI=1S/C5H9N3O6/c6-2(9)1(13-4(7)11)3(10)14-5(8)12/h1,3,10H,(H2,6,9)(H2,7,11)(H2,8,12)/t1-,3+/m1/s1.
What are the key properties of [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate?
[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate has a molecular weight of 207.14 g/mol, XLogP of -2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 163737512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).