3-aminopropan-1-ol;2,2-dimethylpropanoic acid

C8H19NO3 — CID 88610615

IUPAC3-aminopropan-1-ol;2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.NCCCO
InChIInChI=1S/C5H10O2.C3H9NO/c1-5(2,3)4(6)7;4-2-1-3-5/h1-3H3,(H,6,7);5H,1-4H2
InChIKeyHHAZPPPHRFRCHT-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.44
Rot. Bonds2

About 3-aminopropan-1-ol;2,2-dimethylpropanoic acid

3-aminopropan-1-ol;2,2-dimethylpropanoic acid (PubChem CID 88610615) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-aminopropan-1-ol;2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-aminopropan-1-ol;2,2-dimethylpropanoic acid
PubChem CID88610615
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name3-aminopropan-1-ol;2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.NCCCO
InChIInChI=1S/C5H10O2.C3H9NO/c1-5(2,3)4(6)7;4-2-1-3-5/h1-3H3,(H,6,7);5H,1-4H2
InChIKeyHHAZPPPHRFRCHT-UHFFFAOYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
3-aminopropan-1-ol;ethane
CID 91172061
acetic acid;5-aminopentan-1-ol
CID 71566788
2,2-dimethylpropanoic acid
CID 87781698
3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
CID 22649806
sodium;3-aminopropan-1-ol;hydride
CID 173357693
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
CID 174295610
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
acetic acid;propane-1,3-diamine
CID 158444659

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;2,2-dimethylpropanoic acid?
The IUPAC name of 3-aminopropan-1-ol;2,2-dimethylpropanoic acid (CID 88610615) is 3-aminopropan-1-ol;2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-aminopropan-1-ol;2,2-dimethylpropanoic acid?
The canonical SMILES for 3-aminopropan-1-ol;2,2-dimethylpropanoic acid is CC(C)(C)C(=O)O.NCCCO.
What is the InChIKey of 3-aminopropan-1-ol;2,2-dimethylpropanoic acid?
The InChIKey is HHAZPPPHRFRCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H9NO/c1-5(2,3)4(6)7;4-2-1-3-5/h1-3H3,(H,6,7);5H,1-4H2.
What are the key properties of 3-aminopropan-1-ol;2,2-dimethylpropanoic acid?
3-aminopropan-1-ol;2,2-dimethylpropanoic acid has a molecular weight of 177.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;2,2-dimethylpropanoic acid is sourced from PubChem (CID 88610615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).