3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid

C15H19N3O4 — CID 122002288

IUPAC3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C15H19N3O4/c19-13(20)8-9-16-15(22)17-12-7-4-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22)
InChIKeyZRZQRGYGXXGWRT-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.96
Rot. Bonds5

About 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid

3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 122002288) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
PubChem CID122002288
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C15H19N3O4/c19-13(20)8-9-16-15(22)17-12-7-4-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22)
InChIKeyZRZQRGYGXXGWRT-UHFFFAOYSA-N
XLogP0.96
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 70083296
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid (CID 122002288) is 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is ZRZQRGYGXXGWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(20)8-9-16-15(22)17-12-7-4-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22).
What are the key properties of 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid?
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122002288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).