2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid

C9H18N2O3 — CID 103537951

IUPAC2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
SMILESCOC1CCN(CCC(N)C(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-14-7-2-4-11(6-7)5-3-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyASYIPFDFQCGZHJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.49
Rot. Bonds5

About 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid

2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid (PubChem CID 103537951) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
PubChem CID103537951
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
SMILESCOC1CCN(CCC(N)C(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-14-7-2-4-11(6-7)5-3-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyASYIPFDFQCGZHJ-UHFFFAOYSA-N
XLogP-0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid (CID 103537951) is 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid is COC1CCN(CCC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The InChIKey is ASYIPFDFQCGZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-7-2-4-11(6-7)5-3-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid?
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 103537951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).