[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate

C19H33NO5 — CID 67673523

IUPAC[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate
SMILESCCCCCCCC=C[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1OC(=O)CN
InChIInChI=1S/C19H33NO5/c1-3-4-5-6-7-8-9-10-16-18(25-17(21)13-20)19(15(2)14-22-16)23-11-12-24-19/h9-10,15-16,18H,3-8,11-14,20H2,1-2H3/t15-,16-,18-/m0/s1
InChIKeyRJKTWCAHXCTVRU-BQFCYCMXSA-N
MW355.48 g/mol
LogP2.55
Rot. Bonds9

About [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate

[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate (PubChem CID 67673523) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate.

Molecular Properties

Compound Name[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate
PubChem CID67673523
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate
SMILESCCCCCCCC=C[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1OC(=O)CN
InChIInChI=1S/C19H33NO5/c1-3-4-5-6-7-8-9-10-16-18(25-17(21)13-20)19(15(2)14-22-16)23-11-12-24-19/h9-10,15-16,18H,3-8,11-14,20H2,1-2H3/t15-,16-,18-/m0/s1
InChIKeyRJKTWCAHXCTVRU-BQFCYCMXSA-N
XLogP2.55
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R,5S)-2-dec-1-enyl-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67879762
[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67673864
[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
CID 67803869
[(2S,3R,4S,5R)-4-methoxy-2-[(E)-non-1-enyl]-5-phenylmethoxyoxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 22856016
[(2R,3S,4S)-4-methyl-6-[(Z)-non-1-enyl]-3-propoxyoxan-2-yl] 2-aminoacetate
CID 67672328
nonadec-10-enyl 2-aminoacetate
CID 90782859
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-amine
CID 67672310
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
CID 67674235
methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate
CID 10684309
[(2S,3R,4S,5R)-5-[(2,4-difluorophenyl)methoxy]-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 67805040
N-[(4S,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl]acetamide
CID 139181554
[(Z)-octadec-9-enyl] 3-oxobutanoate
CID 87266849

Frequently Asked Questions

What is the IUPAC name of [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate?
The IUPAC name of [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate (CID 67673523) is [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate.
What is the SMILES notation for [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate?
The canonical SMILES for [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate is CCCCCCCC=C[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1OC(=O)CN.
What is the InChIKey of [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate?
The InChIKey is RJKTWCAHXCTVRU-BQFCYCMXSA-N. The full InChI is InChI=1S/C19H33NO5/c1-3-4-5-6-7-8-9-10-16-18(25-17(21)13-20)19(15(2)14-22-16)23-11-12-24-19/h9-10,15-16,18H,3-8,11-14,20H2,1-2H3/t15-,16-,18-/m0/s1.
What are the key properties of [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate?
[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate has a molecular weight of 355.48 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate is sourced from PubChem (CID 67673523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).