methyl 3-(dipropylamino)propanoate

C10H21NO2 — CID 23363412

IUPACmethyl 3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-9H2,1-3H3
InChIKeyPPJJRLWJYWTKGY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About methyl 3-(dipropylamino)propanoate

methyl 3-(dipropylamino)propanoate (PubChem CID 23363412) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-(dipropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(dipropylamino)propanoate
PubChem CID23363412
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-9H2,1-3H3
InChIKeyPPJJRLWJYWTKGY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, N,N-dimethyl-, ethyl ester
CID 88372
beta-Alanine betaine
CID 441440
beta-Alanine, N,N-dimethyl-, methyl ester
CID 199226
Methyl 3-(pyrrolidin-1-yl)propanoate
CID 89167
Ethyl 1-pyrrolidinepropanoate
CID 80590
Ethyl 3-(diethylamino)propionate
CID 79649
1-Azetidinepropanoic acid, ethyl ester
CID 82181
Methyl 3-(diethylamino)propanoate
CID 219165
Methyl 3-(dimethylamino)-2-methylpropionate
CID 112023
Ethyl 3-(dipropylamino)propanoate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
Methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate hydrochloride
CID 2909454

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dipropylamino)propanoate?
The IUPAC name of methyl 3-(dipropylamino)propanoate (CID 23363412) is methyl 3-(dipropylamino)propanoate.
What is the SMILES notation for methyl 3-(dipropylamino)propanoate?
The canonical SMILES for methyl 3-(dipropylamino)propanoate is CCCN(CCC)CCC(=O)OC.
What is the InChIKey of methyl 3-(dipropylamino)propanoate?
The InChIKey is PPJJRLWJYWTKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-(dipropylamino)propanoate?
methyl 3-(dipropylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dipropylamino)propanoate is sourced from PubChem (CID 23363412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).