2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid

C12H18N4O4 — CID 106402769

IUPAC2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1nc(CNC(=O)N(CC(=O)O)C2CCCC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)6-13-12(19)16(7-11(17)18)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyVUTMPKRTGYABIK-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106402769) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106402769
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1nc(CNC(=O)N(CC(=O)O)C2CCCC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)6-13-12(19)16(7-11(17)18)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyVUTMPKRTGYABIK-UHFFFAOYSA-N
XLogP0.92
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid (CID 106402769) is 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid is Cc1nc(CNC(=O)N(CC(=O)O)C2CCCC2)no1.
What is the InChIKey of 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is VUTMPKRTGYABIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)6-13-12(19)16(7-11(17)18)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106402769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).