4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid

C13H23N3O4 — CID 64890678

IUPAC4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCCNC(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-15-12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyOAQMGCQJUGISDW-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.45
Rot. Bonds6

About 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid

4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 64890678) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID64890678
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCCNC(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-15-12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyOAQMGCQJUGISDW-UHFFFAOYSA-N
XLogP-0.45
TPSA112.73 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 ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
1-(2-bromo-3-methylbutanoyl)-N-ethylpiperidine-4-carboxamide
CID 54875467
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
CID 107217500
1-(2-amino-4-methylsulfanylbutanoyl)-N-benzylpiperidine-4-carboxamide
CID 119273087
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid (CID 64890678) is 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid is CCNC(=O)C1CCN(C(=O)C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is OAQMGCQJUGISDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-15-12(19)9-5-7-16(8-6-9)13(20)10(14)3-4-11(17)18/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid?
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 64890678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).