(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one

C7H14N2O — CID 11389441

IUPAC(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyIVBVTDXOGUNDHC-LURJTMIESA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds1

About (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 11389441) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
PubChem CID11389441
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyIVBVTDXOGUNDHC-LURJTMIESA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one (CID 11389441) is (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one is C[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IVBVTDXOGUNDHC-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 142.20 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 11389441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).