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

C10H21N3O2 — CID 63165298

IUPACmethyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(N)CN1CCC(N(C)C)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)8-4-5-13(6-8)7-9(11)10(14)15-3/h8-9H,4-7,11H2,1-3H3
InChIKeyBMBJIEUTRYEISS-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.88
Rot. Bonds4

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

methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (PubChem CID 63165298) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
PubChem CID63165298
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namemethyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(N)CN1CCC(N(C)C)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)8-4-5-13(6-8)7-9(11)10(14)15-3/h8-9H,4-7,11H2,1-3H3
InChIKeyBMBJIEUTRYEISS-UHFFFAOYSA-N
XLogP-0.88
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 63165297
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (CID 63165298) is methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is COC(=O)C(N)CN1CCC(N(C)C)C1.
What is the InChIKey of methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The InChIKey is BMBJIEUTRYEISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12(2)8-4-5-13(6-8)7-9(11)10(14)15-3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate has a molecular weight of 215.30 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 63165298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).