[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate

C14H17NO5 — CID 10423720

IUPAC[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate
SMILESCOC(=O)ON(C[C@H]1C[C@@H]1c1ccccc1)C(=O)OC
InChIInChI=1S/C14H17NO5/c1-18-13(16)15(20-14(17)19-2)9-11-8-12(11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyFDKONSDJDXHPMR-VXGBXAGGSA-N
MW279.29 g/mol
LogP2.56
Rot. Bonds3

About [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate

[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate (PubChem CID 10423720) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate.

Molecular Properties

Compound Name[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate
PubChem CID10423720
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate
SMILESCOC(=O)ON(C[C@H]1C[C@@H]1c1ccccc1)C(=O)OC
InChIInChI=1S/C14H17NO5/c1-18-13(16)15(20-14(17)19-2)9-11-8-12(11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyFDKONSDJDXHPMR-VXGBXAGGSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate?
The IUPAC name of [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate (CID 10423720) is [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate.
What is the SMILES notation for [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate?
The canonical SMILES for [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate is COC(=O)ON(C[C@H]1C[C@@H]1c1ccccc1)C(=O)OC.
What is the InChIKey of [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate?
The InChIKey is FDKONSDJDXHPMR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-13(16)15(20-14(17)19-2)9-11-8-12(11)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate?
[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate has a molecular weight of 279.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate is sourced from PubChem (CID 10423720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).