6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid

C14H25N3O4 — CID 43447348

IUPAC6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
SMILESCCN1CCCC1CNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-17-9-5-6-11(17)10-15-14(21)16-12(18)7-3-4-8-13(19)20/h11H,2-10H2,1H3,(H,19,20)(H2,15,16,18,21)
InChIKeyQWTZGXLUPKPCCV-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds8

About 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid

6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid (PubChem CID 43447348) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
PubChem CID43447348
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
SMILESCCN1CCCC1CNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-17-9-5-6-11(17)10-15-14(21)16-12(18)7-3-4-8-13(19)20/h11H,2-10H2,1H3,(H,19,20)(H2,15,16,18,21)
InChIKeyQWTZGXLUPKPCCV-UHFFFAOYSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
CID 43209551
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
CID 61189907
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide
CID 71826784
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid (CID 43447348) is 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid is CCN1CCCC1CNC(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid?
The InChIKey is QWTZGXLUPKPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-17-9-5-6-11(17)10-15-14(21)16-12(18)7-3-4-8-13(19)20/h11H,2-10H2,1H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid?
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 43447348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).