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

C7H14N2O2 — CID 94340238

IUPACmethyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)5-9-3-2-6(8)4-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyHHEHOIKFPAVZKV-LURJTMIESA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds2

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

methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate (PubChem CID 94340238) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
PubChem CID94340238
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)5-9-3-2-6(8)4-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyHHEHOIKFPAVZKV-LURJTMIESA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 138490425
[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 138490431
(3,4-Diaminopyrrolidin-1-yl)-acetic acid
CID 129869279
(3,4-Diamino-pyrrolidin-1-yl)-acetic acid ethyl ester
CID 129869308
2-((3s,4s)-3,4-Diaminopyrrolidin-1-yl)-acetic acid
CID 129869313
Methyl 2-(3-amino-2-oxopyrrolidin-1-yl)acetate
CID 20641852
(R)-(3-Amino-pyrrolidin-1-yl)-acetic acid
CID 34178400
(3-Amino-pyrrolidin-1-yl)-acetic acid
CID 42614512
ethyl 2-[[(3R)-pyrrolidin-3-yl]amino]acetate
CID 44192649
Methyl 2-(2-aminopropylamino)acetate
CID 54010376
(S)-(3-Amino-pyrrolidin-1-YL)-acetic acid
CID 55255293
Ethyl 2-(3-aminopyrrolidin-1-yl)acetate
CID 58748180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate (CID 94340238) is methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate is COC(=O)CN1CC[C@H](N)C1.
What is the InChIKey of methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate?
The InChIKey is HHEHOIKFPAVZKV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)5-9-3-2-6(8)4-9/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate?
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate has a molecular weight of 158.20 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate is sourced from PubChem (CID 94340238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).