azane;2-methylpropanoic acid;hydrate

C4H13NO3 — CID 161320294

IUPACazane;2-methylpropanoic acid;hydrate
SMILESCC(C)C(=O)O.N.O
InChIInChI=1S/C4H8O2.H3N.H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H,5,6);1H3;1H2
InChIKeyUMFQPQLYSOSXSB-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.06
Rot. Bonds1

About azane;2-methylpropanoic acid;hydrate

azane;2-methylpropanoic acid;hydrate (PubChem CID 161320294) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is azane;2-methylpropanoic acid;hydrate.

Molecular Properties

Compound Nameazane;2-methylpropanoic acid;hydrate
PubChem CID161320294
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Nameazane;2-methylpropanoic acid;hydrate
SMILESCC(C)C(=O)O.N.O
InChIInChI=1S/C4H8O2.H3N.H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H,5,6);1H3;1H2
InChIKeyUMFQPQLYSOSXSB-UHFFFAOYSA-N
XLogP0.06
TPSA103.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropanoic acid
CID 173073412
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
cyanamide;2-methylpropanoic acid
CID 172748410
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262

Frequently Asked Questions

What is the IUPAC name of azane;2-methylpropanoic acid;hydrate?
The IUPAC name of azane;2-methylpropanoic acid;hydrate (CID 161320294) is azane;2-methylpropanoic acid;hydrate.
What is the SMILES notation for azane;2-methylpropanoic acid;hydrate?
The canonical SMILES for azane;2-methylpropanoic acid;hydrate is CC(C)C(=O)O.N.O.
What is the InChIKey of azane;2-methylpropanoic acid;hydrate?
The InChIKey is UMFQPQLYSOSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.H3N.H2O/c1-3(2)4(5)6;;/h3H,1-2H3,(H,5,6);1H3;1H2.
What are the key properties of azane;2-methylpropanoic acid;hydrate?
azane;2-methylpropanoic acid;hydrate has a molecular weight of 123.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylpropanoic acid;hydrate is sourced from PubChem (CID 161320294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).