2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide

C11H23N3O2 — CID 81088313

IUPAC2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCOCC(N)C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-14-5-3-4-6-14)13-11(15)10(12)8-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyUVSHWWZKUGCSAP-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds6

About 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide

2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide (PubChem CID 81088313) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
PubChem CID81088313
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCOCC(N)C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-14-5-3-4-6-14)13-11(15)10(12)8-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyUVSHWWZKUGCSAP-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide (CID 81088313) is 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide is COCC(N)C(=O)NC(C)CN1CCCC1.
What is the InChIKey of 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The InChIKey is UVSHWWZKUGCSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-14-5-3-4-6-14)13-11(15)10(12)8-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 81088313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).