(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

C10H16N4O — CID 11321743

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C10H16N4O/c11-9(5-8-6-12-7-13-8)10(15)14-3-1-2-4-14/h6-7,9H,1-5,11H2,(H,12,13)/t9-/m0/s1
InChIKeyTVLAAZVYMRMYSE-VIFPVBQESA-N
MW208.26 g/mol
LogP-0.10
Rot. Bonds3

About (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 11321743) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID11321743
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C10H16N4O/c11-9(5-8-6-12-7-13-8)10(15)14-3-1-2-4-14/h6-7,9H,1-5,11H2,(H,12,13)/t9-/m0/s1
InChIKeyTVLAAZVYMRMYSE-VIFPVBQESA-N
XLogP-0.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.10
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-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 11321743) is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TVLAAZVYMRMYSE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c11-9(5-8-6-12-7-13-8)10(15)14-3-1-2-4-14/h6-7,9H,1-5,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 11321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).