2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid

C12H20N4O4 — CID 106420290

IUPAC2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCc1nc(CCNC(=O)NCCCC(C)C(=O)O)no1
InChIInChI=1S/C12H20N4O4/c1-8(11(17)18)4-3-6-13-12(19)14-7-5-10-15-9(2)20-16-10/h8H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyAFLBROIVKFYWMP-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.72
Rot. Bonds8

About 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid

2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 106420290) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID106420290
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCc1nc(CCNC(=O)NCCCC(C)C(=O)O)no1
InChIInChI=1S/C12H20N4O4/c1-8(11(17)18)4-3-6-13-12(19)14-7-5-10-15-9(2)20-16-10/h8H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyAFLBROIVKFYWMP-UHFFFAOYSA-N
XLogP0.72
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106420330
2,3-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 106419376
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106420280
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 104686734
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid (CID 106420290) is 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid is Cc1nc(CCNC(=O)NCCCC(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is AFLBROIVKFYWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-8(11(17)18)4-3-6-13-12(19)14-7-5-10-15-9(2)20-16-10/h8H,3-7H2,1-2H3,(H,17,18)(H2,13,14,19).
What are the key properties of 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid?
2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106420290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).