3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid

C10H18N2O8 — CID 159178317

IUPAC3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(CN)C(=O)O.N.O=C=O.O=C=O
InChIInChI=1S/C4H9NO2.C4H6O2.2CO2.H3N/c1-3(2-5)4(6)7;1-3(2)4(5)6;2*2-1-3;/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6);;;1H3
InChIKeyXTWKKMHUZLSPRW-UHFFFAOYSA-N
MW294.26 g/mol
LogP-0.69
Rot. Bonds3

About 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid

3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid (PubChem CID 159178317) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid
PubChem CID159178317
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(CN)C(=O)O.N.O=C=O.O=C=O
InChIInChI=1S/C4H9NO2.C4H6O2.2CO2.H3N/c1-3(2-5)4(6)7;1-3(2)4(5)6;2*2-1-3;/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6);;;1H3
InChIKeyXTWKKMHUZLSPRW-UHFFFAOYSA-N
XLogP-0.69
TPSA203.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

aminomethanol;2-methylprop-2-enoic acid
CID 122684678
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
(2S)-2-amino-3-methylbutanoic acid;carbon dioxide;2-methylpropan-1-amine
CID 161263486
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-isocyanatopropane;2-methylprop-2-enoic acid
CID 157126951
2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid?
The IUPAC name of 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid (CID 159178317) is 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid.
What is the SMILES notation for 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid?
The canonical SMILES for 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(CN)C(=O)O.N.O=C=O.O=C=O.
What is the InChIKey of 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid?
The InChIKey is XTWKKMHUZLSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H6O2.2CO2.H3N/c1-3(2-5)4(6)7;1-3(2)4(5)6;2*2-1-3;/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6);;;1H3.
What are the key properties of 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid?
3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid has a molecular weight of 294.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid is sourced from PubChem (CID 159178317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).