2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide

C10H19N3O3 — CID 90792438

IUPAC2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(CC(C)(N)O)CC1=O
InChIInChI=1S/C10H19N3O3/c1-6(9(11)15)13-5-7(3-8(13)14)4-10(2,12)16/h6-7,16H,3-5,12H2,1-2H3,(H2,11,15)
InChIKeyOANDOSMAEAYVFK-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.23
Rot. Bonds4

About 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide

2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 90792438) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide
PubChem CID90792438
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(CC(C)(N)O)CC1=O
InChIInChI=1S/C10H19N3O3/c1-6(9(11)15)13-5-7(3-8(13)14)4-10(2,12)16/h6-7,16H,3-5,12H2,1-2H3,(H2,11,15)
InChIKeyOANDOSMAEAYVFK-UHFFFAOYSA-N
XLogP-1.23
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide (CID 90792438) is 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide is CC(C(N)=O)N1CC(CC(C)(N)O)CC1=O.
What is the InChIKey of 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is OANDOSMAEAYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-6(9(11)15)13-5-7(3-8(13)14)4-10(2,12)16/h6-7,16H,3-5,12H2,1-2H3,(H2,11,15).
What are the key properties of 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide?
2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 229.28 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-hydroxypropyl)-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 90792438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).