2-amino-3-(2,2-dimethylpropylamino)propanoic acid

C8H18N2O2 — CID 64583640

IUPAC2-amino-3-(2,2-dimethylpropylamino)propanoic acid
SMILESCC(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)5-10-4-6(9)7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyINGWTSFESJFNEV-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.03
Rot. Bonds4

About 2-amino-3-(2,2-dimethylpropylamino)propanoic acid

2-amino-3-(2,2-dimethylpropylamino)propanoic acid (PubChem CID 64583640) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-3-(2,2-dimethylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,2-dimethylpropylamino)propanoic acid
PubChem CID64583640
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-3-(2,2-dimethylpropylamino)propanoic acid
SMILESCC(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)5-10-4-6(9)7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyINGWTSFESJFNEV-UHFFFAOYSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-dimethylpropylamino)propanoic acid?
The IUPAC name of 2-amino-3-(2,2-dimethylpropylamino)propanoic acid (CID 64583640) is 2-amino-3-(2,2-dimethylpropylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,2-dimethylpropylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2,2-dimethylpropylamino)propanoic acid is CC(C)(C)CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2,2-dimethylpropylamino)propanoic acid?
The InChIKey is INGWTSFESJFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)5-10-4-6(9)7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-3-(2,2-dimethylpropylamino)propanoic acid?
2-amino-3-(2,2-dimethylpropylamino)propanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-dimethylpropylamino)propanoic acid is sourced from PubChem (CID 64583640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).