2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid

C12H20N2O5 — CID 142964462

IUPAC2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid
SMILESCCCC/C=C/C=C/OC(O)(NC(=O)CN)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-3-4-5-6-7-8-19-12(18,11(16)17)14-10(15)9-13/h5-8,18H,2-4,9,13H2,1H3,(H,14,15)(H,16,17)/b6-5+,8-7+
InChIKeyXYDVOWUATPOGCN-BSWSSELBSA-N
MW272.30 g/mol
LogP0.07
Rot. Bonds9

About 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid

2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid (PubChem CID 142964462) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid
PubChem CID142964462
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid
SMILESCCCC/C=C/C=C/OC(O)(NC(=O)CN)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-3-4-5-6-7-8-19-12(18,11(16)17)14-10(15)9-13/h5-8,18H,2-4,9,13H2,1H3,(H,14,15)(H,16,17)/b6-5+,8-7+
InChIKeyXYDVOWUATPOGCN-BSWSSELBSA-N
XLogP0.07
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid with MolForge

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Related Compounds

octa-1,3-dienyl acetate
CID 54107935
deca-3,5-dienoic acid
CID 54113782
dodeca-3,5,7-trienoic acid
CID 151654337
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
hept-2-ene;propyl hydrogen carbonate
CID 158833730
(Z)-4-octa-1,3-dienoxy-4-oxobut-2-enoic acid
CID 87949765
dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
CID 10778320
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
octadeca-2,11,13-trienoic acid
CID 173322272
bis[(2E,4E)-deca-2,4-dienyl] propanedioate
CID 88791997
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid (CID 142964462) is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid is CCCC/C=C/C=C/OC(O)(NC(=O)CN)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid?
The InChIKey is XYDVOWUATPOGCN-BSWSSELBSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-3-4-5-6-7-8-19-12(18,11(16)17)14-10(15)9-13/h5-8,18H,2-4,9,13H2,1H3,(H,14,15)(H,16,17)/b6-5+,8-7+.
What are the key properties of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid?
2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.07, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-[(1E,3E)-octa-1,3-dienoxy]acetic acid is sourced from PubChem (CID 142964462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).