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

C10H18N2O5 — CID 103536327

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 Name3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID103536327
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-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
XLogP-0.48
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
2-[(3-tert-butylpyrrolidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 113418214
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992

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).