3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid

Name: 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₈N₂O₅ — CID 103536327

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid

SMILESCOCC(NC(=O)N1CCC(OC)C1)C(=O)O

InChIInChI=1S/C10H18N2O5/c1-16-6-8(9(13)14)11-10(15)12-4-3-7(5-12)17-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)

InChIKeyWAEAFLUOTQEGHD-UHFFFAOYSA-N

MW246.26 g/mol

LogP-0.48

Rot. Bonds5

About 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid

3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 103536327) has the molecular formula C₁₀H₁₈N₂O₅ and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name	3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID	103536327
Molecular Formula	C₁₀H₁₈N₂O₅
Molecular Weight	246.26 g/mol
Exact Mass	246.12
IUPAC Name	3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
SMILES	COCC(NC(=O)N1CCC(OC)C1)C(=O)O
InChI	InChI=1S/C10H18N2O5/c1-16-6-8(9(13)14)11-10(15)12-4-3-7(5-12)17-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKey	WAEAFLUOTQEGHD-UHFFFAOYSA-N
XLogP	-0.48
TPSA	88.10 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.26
LogP ≤ 5	-0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid?

The IUPAC name of 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid (CID 103536327) is 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid.

What is the SMILES notation for 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid?

The canonical SMILES for 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid is COCC(NC(=O)N1CCC(OC)C1)C(=O)O.

What is the InChIKey of 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid?

The InChIKey is WAEAFLUOTQEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-16-6-8(9(13)14)11-10(15)12-4-3-7(5-12)17-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).

What are the key properties of 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid?

3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103536327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103536327 — identifiers, structure, computed properties (public domain)

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