2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid

C11H22N2O3 — CID 156737158

IUPAC2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
SMILESCCCN(CCN(C)CC(C)=O)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-13(9-11(15)16)7-6-12(3)8-10(2)14/h4-9H2,1-3H3,(H,15,16)
InChIKeyXJVJHDKRZKHVGL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds9

About 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid

2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid (PubChem CID 156737158) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
PubChem CID156737158
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
SMILESCCCN(CCN(C)CC(C)=O)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-13(9-11(15)16)7-6-12(3)8-10(2)14/h4-9H2,1-3H3,(H,15,16)
InChIKeyXJVJHDKRZKHVGL-UHFFFAOYSA-N
XLogP0.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-[propyl(undecyl)amino]acetic acid
CID 146831092
ethane;1-[ethyl(methyl)amino]propan-2-one
CID 142250702
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid?
The IUPAC name of 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid (CID 156737158) is 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid is CCCN(CCN(C)CC(C)=O)CC(=O)O.
What is the InChIKey of 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid?
The InChIKey is XJVJHDKRZKHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-13(9-11(15)16)7-6-12(3)8-10(2)14/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid?
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid is sourced from PubChem (CID 156737158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).