3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide

C9H19N3O2 — CID 106171661

IUPAC3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
SMILESCC1CC(NCC(O)C(N)=O)CN1C
InChIInChI=1S/C9H19N3O2/c1-6-3-7(5-12(6)2)11-4-8(13)9(10)14/h6-8,11,13H,3-5H2,1-2H3,(H2,10,14)
InChIKeySNIJRVHQMNREAD-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.49
Rot. Bonds4

About 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide

3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide (PubChem CID 106171661) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
PubChem CID106171661
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
SMILESCC1CC(NCC(O)C(N)=O)CN1C
InChIInChI=1S/C9H19N3O2/c1-6-3-7(5-12(6)2)11-4-8(13)9(10)14/h6-8,11,13H,3-5H2,1-2H3,(H2,10,14)
InChIKeySNIJRVHQMNREAD-UHFFFAOYSA-N
XLogP-1.49
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide (CID 106171661) is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide is CC1CC(NCC(O)C(N)=O)CN1C.
What is the InChIKey of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide?
The InChIKey is SNIJRVHQMNREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6-3-7(5-12(6)2)11-4-8(13)9(10)14/h6-8,11,13H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide?
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide has a molecular weight of 201.27 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).