propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate

C13H26N2O2 — CID 120901358

IUPACpropan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCC(C)OC(=O)C(C)N(C)CC1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-10(2)17-12(16)11(3)15(5)9-13(4)6-7-14-8-13/h10-11,14H,6-9H2,1-5H3
InChIKeyTWDBKOLRUPFJFW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate

propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate (PubChem CID 120901358) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
PubChem CID120901358
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namepropan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCC(C)OC(=O)C(C)N(C)CC1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-10(2)17-12(16)11(3)15(5)9-13(4)6-7-14-8-13/h10-11,14H,6-9H2,1-5H3
InChIKeyTWDBKOLRUPFJFW-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
CID 120898773
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride
CID 120904436
methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
CID 120899891
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120900971
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120899081
1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120904450
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63710529

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate (CID 120901358) is propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate is CC(C)OC(=O)C(C)N(C)CC1(C)CCNC1.
What is the InChIKey of propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The InChIKey is TWDBKOLRUPFJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)17-12(16)11(3)15(5)9-13(4)6-7-14-8-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 120901358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).