[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate

C19H35NO4 — CID 67673864

IUPAC[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
SMILESCCCCCCCC/C=C/[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN
InChIInChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-11-12-16-19(24-17(21)13-20)18(22-3)15(2)14-23-16/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/b12-11+/t15-,16-,18-,19-/m0/s1
InChIKeyFRSNUZWHTMCPAM-UYYONICOSA-N
MW341.49 g/mol
LogP3.21
Rot. Bonds11

About [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate

[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate (PubChem CID 67673864) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
PubChem CID67673864
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
SMILESCCCCCCCC/C=C/[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN
InChIInChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-11-12-16-19(24-17(21)13-20)18(22-3)15(2)14-23-16/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/b12-11+/t15-,16-,18-,19-/m0/s1
InChIKeyFRSNUZWHTMCPAM-UYYONICOSA-N
XLogP3.21
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3R,4R,5S)-2-dec-1-enyl-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67879762
[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
CID 67803869
(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
[(2S,3R,4S,5R)-4-methoxy-2-[(E)-non-1-enyl]-5-phenylmethoxyoxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 22856016
[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate
CID 67673523
[(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
[(2S,3R,4S,5S)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 67672039
[(2R,3S,4S)-4-methyl-6-[(Z)-non-1-enyl]-3-propoxyoxan-2-yl] 2-aminoacetate
CID 67672328
(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
CID 67805624
(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
CID 67672410
nonadec-10-enyl 2-aminoacetate
CID 90782859

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate?
The IUPAC name of [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate (CID 67673864) is [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate.
What is the SMILES notation for [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate?
The canonical SMILES for [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate is CCCCCCCC/C=C/[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN.
What is the InChIKey of [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate?
The InChIKey is FRSNUZWHTMCPAM-UYYONICOSA-N. The full InChI is InChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-11-12-16-19(24-17(21)13-20)18(22-3)15(2)14-23-16/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/b12-11+/t15-,16-,18-,19-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate?
[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate has a molecular weight of 341.49 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate is sourced from PubChem (CID 67673864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).