2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid

C14H19N3O4 — CID 66286602

IUPAC2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCOC(=O)c1nc(C)cc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H19N3O4/c1-9-7-10(16-12(15-9)13(20)21-2)17-14(8-11(18)19)5-3-4-6-14/h7H,3-6,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUKTDCXJUABPBLF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid

2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid (PubChem CID 66286602) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
PubChem CID66286602
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCOC(=O)c1nc(C)cc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H19N3O4/c1-9-7-10(16-12(15-9)13(20)21-2)17-14(8-11(18)19)5-3-4-6-14/h7H,3-6,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUKTDCXJUABPBLF-UHFFFAOYSA-N
XLogP1.77
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid with MolForge

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Related Compounds

methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
methyl 4-[[1-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66286514
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115899064
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid (CID 66286602) is 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid is COC(=O)c1nc(C)cc(NC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The InChIKey is UKTDCXJUABPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-7-10(16-12(15-9)13(20)21-2)17-14(8-11(18)19)5-3-4-6-14/h7H,3-6,8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 66286602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).