[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate

C19H35NO5 — CID 67803869

IUPAC[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
SMILESCCCCCCCC=C[C@@H]1OC[C@@H](OCC)[C@H](OC)[C@@H]1OC(=O)CN
InChIInChI=1S/C19H35NO5/c1-4-6-7-8-9-10-11-12-15-19(25-17(21)13-20)18(22-3)16(14-24-15)23-5-2/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/t15-,16+,18-,19+/m0/s1
InChIKeyZXNWGPHFSIPMOA-OGWHTMIXSA-N
MW357.49 g/mol
LogP2.59
Rot. Bonds12

About [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate

[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate (PubChem CID 67803869) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
PubChem CID67803869
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
SMILESCCCCCCCC=C[C@@H]1OC[C@@H](OCC)[C@H](OC)[C@@H]1OC(=O)CN
InChIInChI=1S/C19H35NO5/c1-4-6-7-8-9-10-11-12-15-19(25-17(21)13-20)18(22-3)16(14-24-15)23-5-2/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/t15-,16+,18-,19+/m0/s1
InChIKeyZXNWGPHFSIPMOA-OGWHTMIXSA-N
XLogP2.59
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.59
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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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,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67673864
[(2S,3R,4S,5R)-4-methoxy-2-[(E)-non-1-enyl]-5-phenylmethoxyoxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 22856016
[(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,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
CID 67672410
[(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,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
[(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
methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate
CID 10684309
[4-[(Z)-octadec-9-enoyl]oxycyclohexyl] (Z)-octadec-9-enoate
CID 101255389

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate?
The IUPAC name of [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate (CID 67803869) is [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate.
What is the SMILES notation for [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate?
The canonical SMILES for [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate is CCCCCCCC=C[C@@H]1OC[C@@H](OCC)[C@H](OC)[C@@H]1OC(=O)CN.
What is the InChIKey of [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate?
The InChIKey is ZXNWGPHFSIPMOA-OGWHTMIXSA-N. The full InChI is InChI=1S/C19H35NO5/c1-4-6-7-8-9-10-11-12-15-19(25-17(21)13-20)18(22-3)16(14-24-15)23-5-2/h11-12,15-16,18-19H,4-10,13-14,20H2,1-3H3/t15-,16+,18-,19+/m0/s1.
What are the key properties of [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate?
[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate has a molecular weight of 357.49 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate is sourced from PubChem (CID 67803869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).