2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid

C9H19N3O3 — CID 106278540

IUPAC2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)C(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,8(15)11-3)5-12-4-6(10)7(13)14/h6,12H,4-5,10H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyIROKVNXYRQZELJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.24
Rot. Bonds6

About 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid

2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 106278540) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID106278540
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)C(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,8(15)11-3)5-12-4-6(10)7(13)14/h6,12H,4-5,10H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyIROKVNXYRQZELJ-UHFFFAOYSA-N
XLogP-1.24
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid (CID 106278540) is 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid is CNC(=O)C(C)(C)CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is IROKVNXYRQZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,8(15)11-3)5-12-4-6(10)7(13)14/h6,12H,4-5,10H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 217.27 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 106278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).