2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid

C9H20N2O2 — CID 64670148

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
SMILESCCC(NCCN(C)CC)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-4-8(9(12)13)10-6-7-11(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyOYBWBZOTPKKJAX-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.39
Rot. Bonds7

About 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid

2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid (PubChem CID 64670148) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
PubChem CID64670148
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
SMILESCCC(NCCN(C)CC)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-4-8(9(12)13)10-6-7-11(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyOYBWBZOTPKKJAX-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 64667381
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107827546
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
CID 62636773
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid (CID 64670148) is 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid is CCC(NCCN(C)CC)C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid?
The InChIKey is OYBWBZOTPKKJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-8(9(12)13)10-6-7-11(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid?
2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid is sourced from PubChem (CID 64670148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).