(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C7H14N2O2 — CID 11309656

IUPAC(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)N1CCCC1
InChIInChI=1S/C7H14N2O2/c8-6(5-10)7(11)9-3-1-2-4-9/h6,10H,1-5,8H2/t6-/m0/s1
InChIKeyFTQXPRXTLOMHLO-LURJTMIESA-N
MW158.20 g/mol
LogP-1.07
Rot. Bonds2

About (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 11309656) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID11309656
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)N1CCCC1
InChIInChI=1S/C7H14N2O2/c8-6(5-10)7(11)9-3-1-2-4-9/h6,10H,1-5,8H2/t6-/m0/s1
InChIKeyFTQXPRXTLOMHLO-LURJTMIESA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 11309656) is (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](CO)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FTQXPRXTLOMHLO-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6(5-10)7(11)9-3-1-2-4-9/h6,10H,1-5,8H2/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 158.20 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 11309656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).