[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C30H49N5O8 — CID 58938861

IUPAC[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCCC[C@H](NC(=O)[C@@H]1C[C@]2(CC(CC)=NO2)CN1C(=O)[C@@H](NC(=O)O[C@@H]1CCOC1)C(C)(C)C)C(OC)C(=O)NC1CC1
InChIInChI=1S/C30H49N5O8/c1-7-9-21(23(40-6)26(37)31-19-10-11-19)32-25(36)22-15-30(14-18(8-2)34-43-30)17-35(22)27(38)24(29(3,4)5)33-28(39)42-20-12-13-41-16-20/h19-24H,7-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,39)/t20-,21+,22+,23?,24-,30-/m1/s1
InChIKeyAWSYEZSZMRECSH-UPTKQOBESA-N
MW607.75 g/mol
LogP2.02
Rot. Bonds12

About [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 58938861) has the molecular formula C30H49N5O8 and a molecular weight of 607.75 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID58938861
Molecular FormulaC30H49N5O8
Molecular Weight607.75 g/mol
Exact Mass607.36
IUPAC Name[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCCC[C@H](NC(=O)[C@@H]1C[C@]2(CC(CC)=NO2)CN1C(=O)[C@@H](NC(=O)O[C@@H]1CCOC1)C(C)(C)C)C(OC)C(=O)NC1CC1
InChIInChI=1S/C30H49N5O8/c1-7-9-21(23(40-6)26(37)31-19-10-11-19)32-25(36)22-15-30(14-18(8-2)34-43-30)17-35(22)27(38)24(29(3,4)5)33-28(39)42-20-12-13-41-16-20/h19-24H,7-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,39)/t20-,21+,22+,23?,24-,30-/m1/s1
InChIKeyAWSYEZSZMRECSH-UPTKQOBESA-N
XLogP2.02
TPSA156.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.75
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 58938861) is [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC[C@H](NC(=O)[C@@H]1C[C@]2(CC(CC)=NO2)CN1C(=O)[C@@H](NC(=O)O[C@@H]1CCOC1)C(C)(C)C)C(OC)C(=O)NC1CC1.
What is the InChIKey of [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is AWSYEZSZMRECSH-UPTKQOBESA-N. The full InChI is InChI=1S/C30H49N5O8/c1-7-9-21(23(40-6)26(37)31-19-10-11-19)32-25(36)22-15-30(14-18(8-2)34-43-30)17-35(22)27(38)24(29(3,4)5)33-28(39)42-20-12-13-41-16-20/h19-24H,7-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,39)/t20-,21+,22+,23?,24-,30-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
[(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 607.75 g/mol, XLogP of 2.02, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] N-[(2S)-1-[(5S,8S)-8-[[(3S)-1-(cyclopropylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-3-ethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58938861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).