4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

C10H16N2O5 — CID 103535057

IUPAC4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC1CCN(C(=O)NC(=O)CCC(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-17-7-4-5-12(6-7)10(16)11-8(13)2-3-9(14)15/h7H,2-6H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyHZXCDDJZPHJTGL-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.19
Rot. Bonds4

About 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 103535057) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID103535057
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCOC1CCN(C(=O)NC(=O)CCC(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-17-7-4-5-12(6-7)10(16)11-8(13)2-3-9(14)15/h7H,2-6H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyHZXCDDJZPHJTGL-UHFFFAOYSA-N
XLogP-0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-(3-Carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide
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CID 25199624
CID 25199624
[3-(3-Carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+)
CID 409274
[3-(3-Carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+)
CID 498048
Mercury(2+);4-(2-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 23618876
4-(2-Methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 23618877
4-(2-Methoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 28746166
4-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4-oxobutanoic acid
CID 28746213
4-[(2,6-Dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 43209434
4-[(2-Methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 43209438

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 103535057) is 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is COC1CCN(C(=O)NC(=O)CCC(=O)O)C1.
What is the InChIKey of 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is HZXCDDJZPHJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-17-7-4-5-12(6-7)10(16)11-8(13)2-3-9(14)15/h7H,2-6H2,1H3,(H,14,15)(H,11,13,16).
What are the key properties of 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 244.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103535057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).