3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide

C9H20N2O3 — CID 87416618

IUPAC3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CC(C)(N)C(O)CO
InChIInChI=1S/C5H13NO2.C4H7NO/c1-5(2,6)4(8)3-7;1-3(2)4(5)6/h4,7-8H,3,6H2,1-2H3;1H2,2H3,(H2,5,6)
InChIKeyCPMPLHAAGXBYCZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.88
Rot. Bonds3

About 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide

3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide (PubChem CID 87416618) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide.

Molecular Properties

Compound Name3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide
PubChem CID87416618
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CC(C)(N)C(O)CO
InChIInChI=1S/C5H13NO2.C4H7NO/c1-5(2,6)4(8)3-7;1-3(2)4(5)6/h4,7-8H,3,6H2,1-2H3;1H2,2H3,(H2,5,6)
InChIKeyCPMPLHAAGXBYCZ-UHFFFAOYSA-N
XLogP-0.88
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-amino-3-hydroxy-4-methylpentanamide
CID 809792
2-methylprop-2-enamide;hydrate
CID 88749193
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CID 122530831
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87645451
2-methylpropane-2-sulfonic acid;2-methylprop-2-enamide
CID 22495091
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
1,2,3-trihydroxypropyl 2-methylprop-2-enoate
CID 21401083
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
sodium;2-methylprop-2-enamide;propane
CID 159451329
ethenol;2-methylprop-2-enamide
CID 87880771

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide?
The IUPAC name of 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide (CID 87416618) is 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide.
What is the SMILES notation for 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide?
The canonical SMILES for 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide is C=C(C)C(N)=O.CC(C)(N)C(O)CO.
What is the InChIKey of 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide?
The InChIKey is CPMPLHAAGXBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C4H7NO/c1-5(2,6)4(8)3-7;1-3(2)4(5)6/h4,7-8H,3,6H2,1-2H3;1H2,2H3,(H2,5,6).
What are the key properties of 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide?
3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide has a molecular weight of 204.27 g/mol, XLogP of -0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide is sourced from PubChem (CID 87416618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).