methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

C8H14N2O3 — CID 11844233

IUPACmethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6(9)4-5-2-3-10-7(5)11/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyZRXQTUVXCKSWQD-WDSKDSINSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds3

About methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (PubChem CID 11844233) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
PubChem CID11844233
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6(9)4-5-2-3-10-7(5)11/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyZRXQTUVXCKSWQD-WDSKDSINSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (CID 11844233) is methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is COC(=O)[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The InChIKey is ZRXQTUVXCKSWQD-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)6(9)4-5-2-3-10-7(5)11/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate has a molecular weight of 186.21 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 11844233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).