2-[3-(dimethylamino)propyl-ethylamino]propanoic acid

C10H22N2O2 — CID 102994663

IUPAC2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
SMILESCCN(CCCN(C)C)C(C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-12(9(2)10(13)14)8-6-7-11(3)4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNVXGDMUMYKUGRD-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.73
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid

2-[3-(dimethylamino)propyl-ethylamino]propanoic acid (PubChem CID 102994663) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
PubChem CID102994663
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
SMILESCCN(CCCN(C)C)C(C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-12(9(2)10(13)14)8-6-7-11(3)4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNVXGDMUMYKUGRD-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(diethylamino)propanoic acid
CID 18664197
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82330415
2-[bis[3-(dimethylamino)propyl]sulfamoyl]propanoic acid
CID 61457737
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
2-[2-carboxyethyl-[3-(dimethylamino)propyl]amino]butanoic acid
CID 82330401
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid (CID 102994663) is 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid is CCN(CCCN(C)C)C(C)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid?
The InChIKey is NVXGDMUMYKUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-12(9(2)10(13)14)8-6-7-11(3)4/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid?
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]propanoic acid is sourced from PubChem (CID 102994663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).