aminomethanol;2-methylprop-2-enoic acid

C5H11NO3 — CID 122684678

IUPACaminomethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCO
InChIInChI=1S/C4H6O2.CH5NO/c1-3(2)4(5)6;2-1-3/h1H2,2H3,(H,5,6);3H,1-2H2
InChIKeyDCCDKPWYIMOSTB-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.46
Rot. Bonds1

About aminomethanol;2-methylprop-2-enoic acid

aminomethanol;2-methylprop-2-enoic acid (PubChem CID 122684678) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is aminomethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameaminomethanol;2-methylprop-2-enoic acid
PubChem CID122684678
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameaminomethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCO
InChIInChI=1S/C4H6O2.CH5NO/c1-3(2)4(5)6;2-1-3/h1H2,2H3,(H,5,6);3H,1-2H2
InChIKeyDCCDKPWYIMOSTB-UHFFFAOYSA-N
XLogP-0.46
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
CID 131883821
CID 131883821
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
CID 173413432
CID 173413432

Frequently Asked Questions

What is the IUPAC name of aminomethanol;2-methylprop-2-enoic acid?
The IUPAC name of aminomethanol;2-methylprop-2-enoic acid (CID 122684678) is aminomethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for aminomethanol;2-methylprop-2-enoic acid?
The canonical SMILES for aminomethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.NCO.
What is the InChIKey of aminomethanol;2-methylprop-2-enoic acid?
The InChIKey is DCCDKPWYIMOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH5NO/c1-3(2)4(5)6;2-1-3/h1H2,2H3,(H,5,6);3H,1-2H2.
What are the key properties of aminomethanol;2-methylprop-2-enoic acid?
aminomethanol;2-methylprop-2-enoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 122684678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).