(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

C12H15N3O5 — CID 79034879

IUPAC(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9-4-6-14(12(20)13-9)7-10(17)15-5-2-1-3-8(15)11(18)19/h4,6,8H,1-3,5,7H2,(H,18,19)(H,13,16,20)/t8-/m1/s1
InChIKeyKMPHVVTWCWRTKO-MRVPVSSYSA-N
MW281.27 g/mol
LogP-1.00
Rot. Bonds3

About (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 79034879) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID79034879
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9-4-6-14(12(20)13-9)7-10(17)15-5-2-1-3-8(15)11(18)19/h4,6,8H,1-3,5,7H2,(H,18,19)(H,13,16,20)/t8-/m1/s1
InChIKeyKMPHVVTWCWRTKO-MRVPVSSYSA-N
XLogP-1.00
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 155901236
2-[1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612721
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
1-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9392324
1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
CID 155499136
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72919872
1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 110063439
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (CID 79034879) is (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is KMPHVVTWCWRTKO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-4-6-14(12(20)13-9)7-10(17)15-5-2-1-3-8(15)11(18)19/h4,6,8H,1-3,5,7H2,(H,18,19)(H,13,16,20)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).