2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid

C11H15N3O3 — CID 136959038

IUPAC2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C11H15N3O3/c15-9-5-8(12-7-13-9)14-11(6-10(16)17)3-1-2-4-11/h5,7H,1-4,6H2,(H,16,17)(H2,12,13,14,15)
InChIKeyQXPKCGKBKFFPCN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.97
Rot. Bonds4

About 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid

2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid (PubChem CID 136959038) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
PubChem CID136959038
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C11H15N3O3/c15-9-5-8(12-7-13-9)14-11(6-10(16)17)3-1-2-4-11/h5,7H,1-4,6H2,(H,16,17)(H2,12,13,14,15)
InChIKeyQXPKCGKBKFFPCN-UHFFFAOYSA-N
XLogP0.97
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid (CID 136959038) is 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid is O=C(O)CC1(Nc2cc(=O)[nH]cn2)CCCC1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The InChIKey is QXPKCGKBKFFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-5-8(12-7-13-9)14-11(6-10(16)17)3-1-2-4-11/h5,7H,1-4,6H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 136959038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).