3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid

C11H13ClN2O2 — CID 96591068

IUPAC3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(CC2CC2)nc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-11-8(3-4-10(15)16)6-13-9(14-11)5-7-1-2-7/h6-7H,1-5H2,(H,15,16)
InChIKeyVFABDAITYSDEJT-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.10
Rot. Bonds5

About 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid

3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid (PubChem CID 96591068) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid
PubChem CID96591068
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(CC2CC2)nc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-11-8(3-4-10(15)16)6-13-9(14-11)5-7-1-2-7/h6-7H,1-5H2,(H,15,16)
InChIKeyVFABDAITYSDEJT-UHFFFAOYSA-N
XLogP2.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-cyclobutylpyrimidin-5-yl)propanoic acid
CID 117225456
3-[4-chloro-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 117225466
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
CID 162738083
3-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081851
3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
CID 14056318
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid
CID 96607277
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549
3-(6-methyl-1,2,4-triazin-3-yl)propanoic acid
CID 82413919

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid (CID 96591068) is 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid is O=C(O)CCc1cnc(CC2CC2)nc1Cl.
What is the InChIKey of 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is VFABDAITYSDEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-11-8(3-4-10(15)16)6-13-9(14-11)5-7-1-2-7/h6-7H,1-5H2,(H,15,16).
What are the key properties of 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid?
3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 240.69 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 96591068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).