1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 61289716

IUPAC1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccnc(NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-8-4-7-12-10(13-8)14-11(9(15)16)5-2-3-6-11/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJYLCKYWQEOJPCM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.29
Rot. Bonds4

About 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61289716) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID61289716
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccnc(NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-8-4-7-12-10(13-8)14-11(9(15)16)5-2-3-6-11/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJYLCKYWQEOJPCM-UHFFFAOYSA-N
XLogP1.29
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 61289716) is 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is COc1ccnc(NC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JYLCKYWQEOJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-8-4-7-12-10(13-8)14-11(9(15)16)5-2-3-6-11/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61289716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).