methyl 4-(dimethylamino)-2-(propylamino)butanoate

C10H22N2O2 — CID 63027229

IUPACmethyl 4-(dimethylamino)-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C)C(=O)OC
InChIInChI=1S/C10H22N2O2/c1-5-7-11-9(10(13)14-4)6-8-12(2)3/h9,11H,5-8H2,1-4H3
InChIKeyOBLTYCQGVOTWSZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.48
Rot. Bonds7

About methyl 4-(dimethylamino)-2-(propylamino)butanoate

methyl 4-(dimethylamino)-2-(propylamino)butanoate (PubChem CID 63027229) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-2-(propylamino)butanoate
PubChem CID63027229
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namemethyl 4-(dimethylamino)-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C)C(=O)OC
InChIInChI=1S/C10H22N2O2/c1-5-7-11-9(10(13)14-4)6-8-12(2)3/h9,11H,5-8H2,1-4H3
InChIKeyOBLTYCQGVOTWSZ-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
methyl 2-(propylamino)octanoate
CID 60795997
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(dimethylamino)-2-(propylamino)butanoate (CID 63027229) is methyl 4-(dimethylamino)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(dimethylamino)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(dimethylamino)-2-(propylamino)butanoate is CCCNC(CCN(C)C)C(=O)OC.
What is the InChIKey of methyl 4-(dimethylamino)-2-(propylamino)butanoate?
The InChIKey is OBLTYCQGVOTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-7-11-9(10(13)14-4)6-8-12(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of methyl 4-(dimethylamino)-2-(propylamino)butanoate?
methyl 4-(dimethylamino)-2-(propylamino)butanoate has a molecular weight of 202.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-2-(propylamino)butanoate is sourced from PubChem (CID 63027229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).