2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid

C12H16N4O4 — CID 43521269

IUPAC2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C12H16N4O4/c17-10(8-16-3-1-2-13-12(16)20)15-6-4-14(5-7-15)9-11(18)19/h1-3H,4-9H2,(H,18,19)
InChIKeyCQXNNCONYMXBPN-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.53
Rot. Bonds4

About 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 43521269) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
PubChem CID43521269
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C12H16N4O4/c17-10(8-16-3-1-2-13-12(16)20)15-6-4-14(5-7-15)9-11(18)19/h1-3H,4-9H2,(H,18,19)
InChIKeyCQXNNCONYMXBPN-UHFFFAOYSA-N
XLogP-1.53
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258965
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
1-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 43428134
2-[[2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465323
3-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522017
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54901216
2-[Butan-2-yl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54925779
2-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54946218
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123386
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60832213
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid
CID 61011691

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid (CID 43521269) is 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is CQXNNCONYMXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-10(8-16-3-1-2-13-12(16)20)15-6-4-14(5-7-15)9-11(18)19/h1-3H,4-9H2,(H,18,19).
What are the key properties of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of -1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).