2-amino-2-methylpropan-1-ol;propanoic acid

C7H17NO3 — CID 21404134

IUPAC2-amino-2-methylpropan-1-ol;propanoic acid
SMILESCC(C)(N)CO.CCC(=O)O
InChIInChI=1S/C4H11NO.C3H6O2/c1-4(2,5)3-6;1-2-3(4)5/h6H,3,5H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyFPSCNBJSGHTLST-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds2

About 2-amino-2-methylpropan-1-ol;propanoic acid

2-amino-2-methylpropan-1-ol;propanoic acid (PubChem CID 21404134) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;propanoic acid.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;propanoic acid
PubChem CID21404134
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-amino-2-methylpropan-1-ol;propanoic acid
SMILESCC(C)(N)CO.CCC(=O)O
InChIInChI=1S/C4H11NO.C3H6O2/c1-4(2,5)3-6;1-2-3(4)5/h6H,3,5H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyFPSCNBJSGHTLST-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
propanoic acid;urea
CID 22102181
propanoic acid;zirconium
CID 88666887
propanoic acid;dihydrofluoride
CID 173419874
mercury(2+);propanoic acid
CID 23623813
alumane;propanoic acid
CID 173234599
nickel;propanoic acid
CID 54601332
propanoic acid;hydrate
CID 57432895
propanoic acid;yttrium
CID 59015039
CID 87066971
CID 87066971
propanoic acid;dihydrochloride
CID 87391840
chromium;propanoic acid
CID 87085581

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;propanoic acid?
The IUPAC name of 2-amino-2-methylpropan-1-ol;propanoic acid (CID 21404134) is 2-amino-2-methylpropan-1-ol;propanoic acid.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;propanoic acid?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;propanoic acid is CC(C)(N)CO.CCC(=O)O.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;propanoic acid?
The InChIKey is FPSCNBJSGHTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H6O2/c1-4(2,5)3-6;1-2-3(4)5/h6H,3,5H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 2-amino-2-methylpropan-1-ol;propanoic acid?
2-amino-2-methylpropan-1-ol;propanoic acid has a molecular weight of 163.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;propanoic acid is sourced from PubChem (CID 21404134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).