2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid

C11H14N4O3 — CID 107589216

IUPAC2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Nc2cncnc2)C1
InChIInChI=1S/C11H14N4O3/c16-10(17)3-8-1-2-15(6-8)11(18)14-9-4-12-7-13-5-9/h4-5,7-8H,1-3,6H2,(H,14,18)(H,16,17)
InChIKeyLXTJDHQRGPKDCF-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.81
Rot. Bonds3

About 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid

2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid (PubChem CID 107589216) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
PubChem CID107589216
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Nc2cncnc2)C1
InChIInChI=1S/C11H14N4O3/c16-10(17)3-8-1-2-15(6-8)11(18)14-9-4-12-7-13-5-9/h4-5,7-8H,1-3,6H2,(H,14,18)(H,16,17)
InChIKeyLXTJDHQRGPKDCF-UHFFFAOYSA-N
XLogP0.81
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
2-[8-(pyrimidin-5-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 107589422
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
N-pyrimidin-5-ylpyrrolidine-1-carboxamide
CID 104859346
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(2-chloro-4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 107809245
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 107586080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid (CID 107589216) is 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)Nc2cncnc2)C1.
What is the InChIKey of 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is LXTJDHQRGPKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(17)3-8-1-2-15(6-8)11(18)14-9-4-12-7-13-5-9/h4-5,7-8H,1-3,6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid?
2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 250.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 107589216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).