[(2S)-1-hydroxyiminopropan-2-yl] carbamate

C4H8N2O3 — CID 175483010

IUPAC[(2S)-1-hydroxyiminopropan-2-yl] carbamate
SMILESC[C@@H](C=NO)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7)/t3-/m0/s1
InChIKeyBQKAHIMJNXWANT-VKHMYHEASA-N
MW132.12 g/mol
LogP-0.07
Rot. Bonds2

About [(2S)-1-hydroxyiminopropan-2-yl] carbamate

[(2S)-1-hydroxyiminopropan-2-yl] carbamate (PubChem CID 175483010) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is [(2S)-1-hydroxyiminopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-hydroxyiminopropan-2-yl] carbamate
PubChem CID175483010
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name[(2S)-1-hydroxyiminopropan-2-yl] carbamate
SMILESC[C@@H](C=NO)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7)/t3-/m0/s1
InChIKeyBQKAHIMJNXWANT-VKHMYHEASA-N
XLogP-0.07
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxyiminopropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-hydroxyiminopropan-2-yl] carbamate (CID 175483010) is [(2S)-1-hydroxyiminopropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-hydroxyiminopropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-hydroxyiminopropan-2-yl] carbamate is C[C@@H](C=NO)OC(N)=O.
What is the InChIKey of [(2S)-1-hydroxyiminopropan-2-yl] carbamate?
The InChIKey is BQKAHIMJNXWANT-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7)/t3-/m0/s1.
What are the key properties of [(2S)-1-hydroxyiminopropan-2-yl] carbamate?
[(2S)-1-hydroxyiminopropan-2-yl] carbamate has a molecular weight of 132.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxyiminopropan-2-yl] carbamate is sourced from PubChem (CID 175483010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).