4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid

C10H16N2O4 — CID 43222532

IUPAC4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-1-2-6-12(7)8(13)4-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)
InChIKeyRFENVUDGJATUCM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.28
Rot. Bonds4

About 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid

4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 43222532) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID43222532
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-1-2-6-12(7)8(13)4-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)
InChIKeyRFENVUDGJATUCM-UHFFFAOYSA-N
XLogP-0.28
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
4-oxo-4-[(2R)-2-prop-2-enoxycarbonylpyrrolidin-1-yl]butanoic acid
CID 156834948
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid (CID 43222532) is 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid is NC(=O)C1CCCCN1C(=O)CCC(=O)O.
What is the InChIKey of 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is RFENVUDGJATUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-10(16)7-3-1-2-6-12(7)8(13)4-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15).
What are the key properties of 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 43222532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).