methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate

C17H28N2O5 — CID 58536815

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1C[C@]2(CCC(=O)O2)C[C@H]1C(C)C)C(C)C
InChIInChI=1S/C17H28N2O5/c1-10(2)12-8-17(7-6-13(20)24-17)9-19(12)15(21)14(11(3)4)18-16(22)23-5/h10-12,14H,6-9H2,1-5H3,(H,18,22)/t12-,14-,17-/m0/s1
InChIKeyQEZWEXKTQIDRJG-JDFRZJQESA-N
MW340.42 g/mol
LogP1.70
Rot. Bonds4

About methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate (PubChem CID 58536815) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate
PubChem CID58536815
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1C[C@]2(CCC(=O)O2)C[C@H]1C(C)C)C(C)C
InChIInChI=1S/C17H28N2O5/c1-10(2)12-8-17(7-6-13(20)24-17)9-19(12)15(21)14(11(3)4)18-16(22)23-5/h10-12,14H,6-9H2,1-5H3,(H,18,22)/t12-,14-,17-/m0/s1
InChIKeyQEZWEXKTQIDRJG-JDFRZJQESA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate (CID 58536815) is methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1C[C@]2(CCC(=O)O2)C[C@H]1C(C)C)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate?
The InChIKey is QEZWEXKTQIDRJG-JDFRZJQESA-N. The full InChI is InChI=1S/C17H28N2O5/c1-10(2)12-8-17(7-6-13(20)24-17)9-19(12)15(21)14(11(3)4)18-16(22)23-5/h10-12,14H,6-9H2,1-5H3,(H,18,22)/t12-,14-,17-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-[(5S,8S)-2-oxo-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate is sourced from PubChem (CID 58536815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).