2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid

C10H22N2O2 — CID 79661326

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
SMILESCCN(CC(C)(C)CN)C(C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-12(8(2)9(13)14)7-10(3,4)6-11/h8H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyAJVKSEHBBKAJSJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.77
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid (PubChem CID 79661326) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
PubChem CID79661326
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
SMILESCCN(CC(C)(C)CN)C(C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-12(8(2)9(13)14)7-10(3,4)6-11/h8H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyAJVKSEHBBKAJSJ-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
CID 79661499
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
CID 79668143
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
CID 79661173
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid (CID 79661326) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid is CCN(CC(C)(C)CN)C(C)C(=O)O.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid?
The InChIKey is AJVKSEHBBKAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-12(8(2)9(13)14)7-10(3,4)6-11/h8H,5-7,11H2,1-4H3,(H,13,14).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid is sourced from PubChem (CID 79661326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).