5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid

C14H25N3O4 — CID 62964488

IUPAC5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)NC(=O)CC(C)CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-17-5-4-11(9-17)8-15-14(21)16-12(18)6-10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyGLZHRHNSMFERPJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds7

About 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964488) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62964488
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)NC(=O)CC(C)CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-17-5-4-11(9-17)8-15-14(21)16-12(18)6-10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyGLZHRHNSMFERPJ-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid (CID 62964488) is 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid is CCN1CCC(CNC(=O)NC(=O)CC(C)CC(=O)O)C1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is GLZHRHNSMFERPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-17-5-4-11(9-17)8-15-14(21)16-12(18)6-10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).