2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid

C14H21NO5 — CID 54325836

IUPAC2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid
SMILESCCC(O)C=CC1CC2=C(NOCC(=O)O)C[C@H]2C1O
InChIInChI=1S/C14H21NO5/c1-2-9(16)4-3-8-5-10-11(14(8)19)6-12(10)15-20-7-13(17)18/h3-4,8-9,11,14-16,19H,2,5-7H2,1H3,(H,17,18)/t8?,9?,11-,14?/m1/s1
InChIKeySUVVLDWRUYPDDJ-RWUBSZJOSA-N
MW283.32 g/mol
LogP0.57
Rot. Bonds7

About 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid

2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid (PubChem CID 54325836) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid
PubChem CID54325836
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid
SMILESCCC(O)C=CC1CC2=C(NOCC(=O)O)C[C@H]2C1O
InChIInChI=1S/C14H21NO5/c1-2-9(16)4-3-8-5-10-11(14(8)19)6-12(10)15-20-7-13(17)18/h3-4,8-9,11,14-16,19H,2,5-7H2,1H3,(H,17,18)/t8?,9?,11-,14?/m1/s1
InChIKeySUVVLDWRUYPDDJ-RWUBSZJOSA-N
XLogP0.57
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-2-hydroxy-3-(3-hydroxydodec-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxypropanoic acid
CID 54152503
3-[[(1S)-3-hydroxy-2-(3-hydroxydec-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxypropanoic acid
CID 54398772
2-[[3-hydroxy-2-(3-hydroxyundecyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid
CID 56623246
3-[[3-(6-ethyl-3-hydroxyoct-1-ynyl)-2-hydroxy-6-bicyclo[3.2.0]hept-5-enyl]amino]oxypropanoic acid
CID 54019867
4-[[2-hydroxy-3-(3-hydroxybutyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxybutanoic acid
CID 54296524
2-[[2-hydroxy-3-[3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-1-ynyl]-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid
CID 54554298
4-[[3-hydroxy-2-(3-hydroxyhex-1-ynyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxybutanoic acid
CID 54187569
3-[[3-[3-(4-chlorophenyl)-3-hydroxyprop-1-ynyl]-2-hydroxy-6-bicyclo[3.2.0]hept-5-enyl]amino]oxypropanoic acid
CID 54405710
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
(4Z,7Z,10Z)-12-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840707
(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840703
(4Z,7Z,10Z)-12-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840705

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid (CID 54325836) is 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid is CCC(O)C=CC1CC2=C(NOCC(=O)O)C[C@H]2C1O.
What is the InChIKey of 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid?
The InChIKey is SUVVLDWRUYPDDJ-RWUBSZJOSA-N. The full InChI is InChI=1S/C14H21NO5/c1-2-9(16)4-3-8-5-10-11(14(8)19)6-12(10)15-20-7-13(17)18/h3-4,8-9,11,14-16,19H,2,5-7H2,1H3,(H,17,18)/t8?,9?,11-,14?/m1/s1.
What are the key properties of 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid?
2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid has a molecular weight of 283.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-hydroxy-3-(3-hydroxypent-1-enyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid is sourced from PubChem (CID 54325836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).