5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid

C13H23N3O4 — CID 61478336

IUPAC5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCCN1CCCC(NC(=O)NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-2-16-8-4-5-10(9-16)14-13(20)15-11(17)6-3-7-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20)
InChIKeyBQNCIYUYVQCZFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.55
Rot. Bonds6

About 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid

5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 61478336) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID61478336
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCCN1CCCC(NC(=O)NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-2-16-8-4-5-10(9-16)14-13(20)15-11(17)6-3-7-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20)
InChIKeyBQNCIYUYVQCZFM-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61478465
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
6-amino-N-(1-ethylpiperidin-3-yl)-4,4-dimethylhexanamide
CID 65292402

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid (CID 61478336) is 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid is CCN1CCCC(NC(=O)NC(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is BQNCIYUYVQCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-16-8-4-5-10(9-16)14-13(20)15-11(17)6-3-7-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid?
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61478336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).