2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid

C12H27N3O2 — CID 102994758

IUPAC2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
SMILESCCN(CC)CCCN(CC)CC(N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-4-14(5-2)8-7-9-15(6-3)10-11(13)12(16)17/h11H,4-10,13H2,1-3H3,(H,16,17)
InChIKeyWSUYSAWQEULWHW-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.45
Rot. Bonds10

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

2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid (PubChem CID 102994758) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
PubChem CID102994758
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
SMILESCCN(CC)CCCN(CC)CC(N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-4-14(5-2)8-7-9-15(6-3)10-11(13)12(16)17/h11H,4-10,13H2,1-3H3,(H,16,17)
InChIKeyWSUYSAWQEULWHW-UHFFFAOYSA-N
XLogP0.45
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301
2-[[3-(diethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 102994780
(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
CID 146014553
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
(3R)-3-amino-5-(diethylamino)pentan-2-one
CID 88995223
(2R)-2-amino-3-(diethylamino)propanamide
CID 94048632
2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
CID 23592928
(2S)-2-amino-4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 131886463
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
CID 65473819
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid (CID 102994758) is 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid is CCN(CC)CCCN(CC)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid?
The InChIKey is WSUYSAWQEULWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-14(5-2)8-7-9-15(6-3)10-11(13)12(16)17/h11H,4-10,13H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid?
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid has a molecular weight of 245.37 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid is sourced from PubChem (CID 102994758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).