2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid

C11H25N3O2 — CID 103190936

IUPAC2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)(N)C(=O)O)C(C)CN(C)C
InChIInChI=1S/C11H25N3O2/c1-6-14(9(2)7-13(4)5)8-11(3,12)10(15)16/h9H,6-8,12H2,1-5H3,(H,15,16)
InChIKeyDVQQWDCFIGSMRC-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.06
Rot. Bonds7

About 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid

2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid (PubChem CID 103190936) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
PubChem CID103190936
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)(N)C(=O)O)C(C)CN(C)C
InChIInChI=1S/C11H25N3O2/c1-6-14(9(2)7-13(4)5)8-11(3,12)10(15)16/h9H,6-8,12H2,1-5H3,(H,15,16)
InChIKeyDVQQWDCFIGSMRC-UHFFFAOYSA-N
XLogP0.06
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103190875
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 103190949
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
CID 103192144
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid (CID 103190936) is 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid is CCN(CC(C)(N)C(=O)O)C(C)CN(C)C.
What is the InChIKey of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid?
The InChIKey is DVQQWDCFIGSMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-6-14(9(2)7-13(4)5)8-11(3,12)10(15)16/h9H,6-8,12H2,1-5H3,(H,15,16).
What are the key properties of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid?
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid has a molecular weight of 231.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 103190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).