2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid

C12H17N5O3 — CID 62312091

IUPAC2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C12H17N5O3/c1-9(10(18)19)16-5-7-17(8-6-16)12(20)15-11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3,(H,18,19)(H,13,14,15,20)
InChIKeyVXZZQHFFJAUJLN-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.10
Rot. Bonds3

About 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid

2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 62312091) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID62312091
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C12H17N5O3/c1-9(10(18)19)16-5-7-17(8-6-16)12(20)15-11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3,(H,18,19)(H,13,14,15,20)
InChIKeyVXZZQHFFJAUJLN-UHFFFAOYSA-N
XLogP0.10
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62310705
2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309513
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 52531122
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62311321
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (CID 62312091) is 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is VXZZQHFFJAUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-9(10(18)19)16-5-7-17(8-6-16)12(20)15-11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3,(H,18,19)(H,13,14,15,20).
What are the key properties of 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).