2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide

C11H16N4O3 — CID 110134619

IUPAC2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide
SMILESNC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1ccon1
InChIInChI=1S/C11H16N4O3/c12-6-8-2-1-7(5-10(13)16)15(8)11(17)9-3-4-18-14-9/h3-4,7-8H,1-2,5-6,12H2,(H2,13,16)/t7-,8+/m1/s1
InChIKeyKDYYOISGMZGILO-SFYZADRCSA-N
MW252.27 g/mol
LogP-0.52
Rot. Bonds4

About 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide

2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide (PubChem CID 110134619) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide
PubChem CID110134619
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide
SMILESNC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1ccon1
InChIInChI=1S/C11H16N4O3/c12-6-8-2-1-7(5-10(13)16)15(8)11(17)9-3-4-18-14-9/h3-4,7-8H,1-2,5-6,12H2,(H2,13,16)/t7-,8+/m1/s1
InChIKeyKDYYOISGMZGILO-SFYZADRCSA-N
XLogP-0.52
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide (CID 110134619) is 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide is NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1ccon1.
What is the InChIKey of 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide?
The InChIKey is KDYYOISGMZGILO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-6-8-2-1-7(5-10(13)16)15(8)11(17)9-3-4-18-14-9/h3-4,7-8H,1-2,5-6,12H2,(H2,13,16)/t7-,8+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide has a molecular weight of 252.27 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 110134619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).