methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate

C9H18N2O2 — CID 115302351

IUPACmethyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CC[C@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13-2)5-11-4-3-8(10)6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyWSVJBGPQAAAWDI-MQWKRIRWSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds3

About methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate

methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate (PubChem CID 115302351) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
PubChem CID115302351
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CC[C@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13-2)5-11-4-3-8(10)6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyWSVJBGPQAAAWDI-MQWKRIRWSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
methyl 2-acetamido-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112626135
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
CID 65250331

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate (CID 115302351) is methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate is COC(=O)C(C)CN1CC[C@H](N)C1.
What is the InChIKey of methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate?
The InChIKey is WSVJBGPQAAAWDI-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(12)13-2)5-11-4-3-8(10)6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate?
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 115302351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).