methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate

C12H24N2O2 — CID 83981066

IUPACmethyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(CC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-14-5-4-10(8-14)6-11(13)12(15)16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyVRKDOPFZBWXSAE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate

methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate (PubChem CID 83981066) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
PubChem CID83981066
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(CC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-14-5-4-10(8-14)6-11(13)12(15)16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyVRKDOPFZBWXSAE-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride
CID 55264396
Methyl (S)-2-amino-3-((S)-2-oxopyrrolidin-3-yl)propanoate
CID 11844233
Methyl 3-(pyrrolidin-3-yl)propanoate
CID 55264397
(2S,3R)-Methyl 3-isopropylpyrrolidine-2-carboxylate
CID 15516053
methyl (2S)-1-(2-ethylhexyl)pyrrolidine-2-carboxylate
CID 18647561
2-Ethylhexyl pyrrolidine-2-carboxylate
CID 19991656
Ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate
CID 20763729
Ethyl 3,5-dimethylpyrrolidine-2-carboxylate
CID 21100534
1-Methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 21341643
Methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
CID 21341738
Methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
CID 21341745
Methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate
CID 21341753

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate (CID 83981066) is methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate is COC(=O)C(N)CC1CCN(CC(C)C)C1.
What is the InChIKey of methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate?
The InChIKey is VRKDOPFZBWXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-14-5-4-10(8-14)6-11(13)12(15)16-3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate?
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate is sourced from PubChem (CID 83981066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).