2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid

C10H22N2O2 — CID 64667381

IUPAC2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
SMILESCCC(NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-9(10(13)14)11-6-7-12(4)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyKDXOAFUZXJRDDK-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds7

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

2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid (PubChem CID 64667381) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
PubChem CID64667381
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
SMILESCCC(NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-5-9(10(13)14)11-6-7-12(4)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyKDXOAFUZXJRDDK-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
CID 64670148
2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 79397094
(2R)-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106039191
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid (CID 64667381) is 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid is CCC(NCCN(C)C(C)C)C(=O)O.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The InChIKey is KDXOAFUZXJRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-9(10(13)14)11-6-7-12(4)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid is sourced from PubChem (CID 64667381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).