2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid

C12H17N3O2 — CID 126848139

IUPAC2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(C2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(12(16)17)15-11-6-10(13-7-14-11)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyVAYDVDIAZJXYGU-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.02
Rot. Bonds4

About 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid

2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 126848139) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
PubChem CID126848139
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(C2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(12(16)17)15-11-6-10(13-7-14-11)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyVAYDVDIAZJXYGU-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopentyl-N-propan-2-ylpyrimidin-4-amine
CID 126848182
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
CID 116971462
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid
CID 116975236
2-[(5-cyclohexylpyrimidin-2-yl)amino]propanoic acid
CID 116975237
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
4,6-dicyclopentylpyrimidine
CID 71817735
2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 83838273
(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid (CID 126848139) is 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid is CC(Nc1cc(C2CCCC2)ncn1)C(=O)O.
What is the InChIKey of 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is VAYDVDIAZJXYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(12(16)17)15-11-6-10(13-7-14-11)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid?
2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 126848139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).