1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

C16H18N2O4 — CID 124590960

IUPAC1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCCN1c1ccccc1
InChIInChI=1S/C16H18N2O4/c19-13-12(17-14(20)16(8-9-16)15(21)22)7-4-10-18(13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,20)(H,21,22)/t12-/m1/s1
InChIKeyGGBUMXIFLZCSMN-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.16
Rot. Bonds4

About 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124590960) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124590960
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCCN1c1ccccc1
InChIInChI=1S/C16H18N2O4/c19-13-12(17-14(20)16(8-9-16)15(21)22)7-4-10-18(13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,20)(H,21,22)/t12-/m1/s1
InChIKeyGGBUMXIFLZCSMN-GFCCVEGCSA-N
XLogP1.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 124590960) is 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is O=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCCN1c1ccccc1.
What is the InChIKey of 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GGBUMXIFLZCSMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13-12(17-14(20)16(8-9-16)15(21)22)7-4-10-18(13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,20)(H,21,22)/t12-/m1/s1.
What are the key properties of 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124590960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).